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Profile: PCAS is a supplier of fine chemicals and custom synthesis services for pharmaceutical and specialty chemical companies. We offer acetophenones, benzophenones, propiophenones, acids, esters, acid chlorides, nitrile derivatives, phosphorus derivatives, acrolein derivatives and thiophene derivatives.

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• P-Methoxybenzoyl Chloride

IUPAC Name: 4-methoxybenzoyl chloride | CAS Registry Number: 100-07-2
Synonyms: Anisoyl chloride, P-ANISOYL CHLORIDE, 4-Anisoyl chloride, p-Anisyl chloride, 4-Methoxybenzoyl chloride, p-Methoxybenzoyl chloride, Benzoyl chloride, 4-methoxy-, Benzoyl chloride, p-methoxy-, p-Methoxybenzoic acid chloride, WLN: GVR BO1, 4-Methoxybenzoic acid chloride, p-Anisoyl chloride (8CI), A88476_ALDRICH, HSDB 447, CID7477, NSC86125, Benzoic acid, 4-methoxy-, chloride, EINECS 202-816-4, NSC 86125, UN1729

Molecular Formula:	C₈H₇ClO₂	Molecular Weight:	170.592980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MXMOTZIXVICDSD-UHFFFAOYSA-N

• p-Valerylphenol

IUPAC Name: 1-(4-hydroxyphenyl)pentan-1-one | CAS Registry Number: 2589-71-1
Synonyms: 4-Valerylphenol, p-Hydroxyvalerophenone, 4'-Hydroxyvalerophenone, Valerophenone, 4'-hydroxy-, ChemDiv3_014404, 1-Pentanone, 1-(4-hydroxyphenyl)-, MLS000522198, 245143_ALDRICH, NSC49186, NSC49321, EINECS 219-978-7, NSC 49186, NSC 49321, ZINC01681257, IDI1_030202, SMR000132606, AI3-11694, ST5405539, EU-0033275

Molecular Formula:	C₁₁H₁₄O₂	Molecular Weight:	178.227660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZKCJJGOOPOIZTE-UHFFFAOYSA-N

• phenyl(1H-pyrrol-2-yl)methanone

IUPAC Name: phenyl(1H-pyrrol-2-yl)methanone | CAS Registry Number: 7697-46-3
Synonyms: 2-Benzoylpyrrole, Pyrrol-2-ylphenyl ketone, Phenyl pyrrol-2-yl ketone, Maybridge3_006364, ChemDiv2_003108, NCIOpen2_000432, Phenyl-1H-pyrrol-2-ylmethanone, KETONE, PHENYL PYRROL-2-YL, NSC 75585, NSC75585, BRN 0120606, Methanone, phenyl-1H-pyrrol-2-yl-, SEW 04633, ZINC00110529, IDI1_017751, LS-87355, Methanone, phenyl-1H-pyrrol-2-yl- (9CI), 5-21-08-00461 (Beilstein Handbook Reference), SR-01000632111-1

Molecular Formula:	C₁₁H₉NO	Molecular Weight:	171.195260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NFGGQMYSOLVBLF-UHFFFAOYSA-N

• Phenylmethyl Dimethyl Phosphate

IUPAC Name: dimethoxyphosphorylmethylbenzene | CAS Registry Number: 773-47-7
Synonyms: Dimethyl benzylphosphonate, Benzyl-phosphonic acid dimethyl ester, Benzylphosphonic acid, dimethyl ester, NSC202848, ZINC01737316, Phosphonic acid, benzyl-, dimethyl ester, BAS 00039881, Phosphonic acid, (phenylmethyl)-, dimethyl ester

Molecular Formula:	C₉H₁₃O₃P	Molecular Weight:	200.171481 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QLNYTKJCHFEIDA-UHFFFAOYSA-N

• Piperonyl acetone

IUPAC Name: 4-(1,3-benzodioxol-5-yl)butan-2-one | CAS Registry Number: 55418-52-5
Synonyms: PIPERONYL ACETONE, Piperonylideneacetone, 3,4-Methylenedioxybenzylacetone, FEMA No. 2701, 4-(3,4-Methylenedioxyphenyl)-2-butanone, W270105_ALDRICH, EINECS 259-630-1, ZERO/000232, NSC 405365, CID62098, 2-Butanone, 4-(1,3-benzodioxol-5-yl)-, 4-(1,3-Benzodioxol-5-yl)butan-2-one, NSC405365, ZINC00052601, AI3-20251, FR-0502, LS-2922, 3,4-METHYLENEDIOXYBENZYLIDENEACETONE, 3160-37-0

Molecular Formula:	C₁₁H₁₂O₃	Molecular Weight:	192.211180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: TZJLGGWGVLADDN-UHFFFAOYSA-N

• Piperonylic acid

IUPAC Name: 1,3-benzodioxole-5-carboxylic acid | CAS Registry Number: 94-53-1
Synonyms: PIPERONYLIC ACID, Heliotropic acid, Piperonic acid, 1,3-Benzodioxole-5-carboxylic acid, Spectrum_001164, Spectrum3_001022, Spectrum4_001152, 5-Benzodioxolecarboxylic acid, 3,4-Dioxymethylenebenzoic acid, 3,4-Methylenedioxybenzoic acid, Protocatechuic acid methylene ether, BSPBio_002803, KBioGR_001723, KBioSS_001644, P49805_ALDRICH, SPECTRUM500580, 3,4-Methylene dioxybenzoic acid, 3,4-(Methylenedioxy)benzoic acid, Benzoic acid, 3,4-(methylenedioxy)-, 80860_FLUKA

Molecular Formula:	C₈H₆O₄	Molecular Weight:	166.130840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VDVJGIYXDVPQLP-UHFFFAOYSA-N

• Propargylaldehyde Diethyl Acetal

IUPAC Name: 3,3-diethoxyprop-1-yne | CAS Registry Number: 10160-87-9
Synonyms: 3,3-Diethoxy-1-propyne, 3,3-Diethoxypropyne, 1-Propyne, 3,3-diethoxy-, Propiolaldehyde diethyl acetal, 303607_ALDRICH, Propargylaldehyde diethyl acetal, ZERO/004878, NSC45019, EINECS 233-430-4, ZINC00388478

Molecular Formula:	C₇H₁₂O₂	Molecular Weight:	128.168980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RGUXEWWHSQGVRZ-UHFFFAOYSA-N

• Tetraethyl p-xylylenediphosphonate

IUPAC Name: 1,4-bis(diethoxyphosphorylmethyl)benzene | CAS Registry Number: 4546-04-7
Synonyms: p-Bis(diethylphosphono)xylene, p-Xylylenebis(diethyl phosphonate), EINECS 224-902-0, NSC203064, ZINC01737461, NSC 203064, Phosphonic acid, (p-phenylenedimethylene)di-, tetraethyl ester, Tetraethyl (1,4-phenylenebis(methylene))bisphosphonate, Phosphonic acid, (1,4-phenylenebis(methylene))bis-, tetraethyl ester, Phosphonic acid, [1,4-phenylenebis(methylene)]bis-, tetraethyl ester, 305814-65-7

Molecular Formula:	C₁₆H₂₈O₆P₂	Molecular Weight:	378.337442 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: XTKQUBKFKSHRPS-UHFFFAOYSA-N

• Thenoyl Trifluoroacetone

IUPAC Name: 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione | CAS Registry Number: 326-91-0
Synonyms: ttfa, 2-Thenoyltrifluoroacetone, TTFA cpd, THENOYLTRIFLUOROACETONE, Trifluorothienylacetone, alpha-Thenoyltrifluoroacetone, .alpha.-Thenoyltrifluoroacetone, Perfluoroacetyl(2-thenoyl)methane, 1-Thenoyl-3,3,3-trifluoroacetone, T27006_ALDRICH, ARONIS021027, 1,1,1-Trifluoro-3-(2-thenoyl)acetone, 88300_FLUKA, 88302_FLUKA, EINECS 206-316-7, TOS-BB-0669, NSC 66544, NSC66544, 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-, HSCI1_000376

Molecular Formula:	C₈H₅F₃O₂S	Molecular Weight:	222.184310 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: TXBBUSUXYMIVOS-UHFFFAOYSA-N

• Tiglic acid

IUPAC Name: (E)-2-methylbut-2-enoic acid | CAS Registry Number: 80-59-1
Synonyms: TIGLIC ACID, Tiglinic acid, Cevadic acid, Tiglinsaeure, (E)-2-Methylcrotonic acid, trans-2-Methylcrotonic acid, trans-2-Methyl-2-butenoic acid, (E)-2,3-Dimethylacrylic acid, 2-Methyl-2-butenoic acid, trans-2,3-Dimethylacrylic acid, alpha-Methylcrotonic acid, Crotonic acid, 2-methyl-, (E)-, 2-methylbut-2-enoic acid, (E)-2-Methylbut-2-enoic acid, 2-Butenoic acid, 2-methyl-, Crotonic acid, 2-methyl-, 2-Butenoic acid, 2-methyl-, (E)-, 2-methyl-2E-butenoic acid, FEMA No. 3599, T35203_ALDRICH

Molecular Formula:	C₅H₈O₂	Molecular Weight:	100.115820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UIERETOOQGIECD-ONEGZZNKSA-N

• Trans-2-Hexenoic Acid

IUPAC Name: (E)-hex-2-enoic acid | CAS Registry Number: 13419-69-7
Synonyms: trans-2-Hexenoic acid, Isohydrosorbic acid, 2-HEXENOIC ACID, (E)-2-Hexenoic acid, 3-Propylacrylic acid, 2-Hexenoic acid, (E)-, (Z)-2-Hexenoic acid, beta-propyl acrylic acid, trans-Hex-2-enoic acid, (2E)-2-Hexenoic acid, 2-Hexenoic acid, trans-, Propylacrylic acid, beta-, 2-Hexenoic acid, (Z)-, 2-Hexenoic acid, (2E)-, W316903_ALDRICH, FEMA No. 3169, 193089_ALDRICH, EINECS 214-727-8, EINECS 236-528-5, LMFA01030008

Molecular Formula:	C₆H₁₀O₂	Molecular Weight:	114.142400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NIONDZDPPYHYKY-SNAWJCMRSA-N

• Tri Ethyl Phosphono Acetate

IUPAC Name: ethyl 2-diethoxyphosphorylacetate | CAS Registry Number: 867-13-0
Synonyms: Triethyl phosphonoacetate, Triethyl phosphonoethanoate, Ethyl (diethylphosphono)acetate, Ethyl (diethoxyphosphoryl)acetate, Diethyl carbethoxymethylphosphonate, Ethyl diethoxyphosphoryl acetate, Diethyl carboethoxymethylphosphonate, CBDivE_001998, T61301_ALDRICH, Phosphonoacetic acid, triethyl ester, TL 465, Triethyl carboxymethylphosphonate, Diethyl ethoxycarbonylmethanephosphonate, ethyl 2-diethoxyphosphorylacetate, STOCK4S-84547, 79525_FLUKA, EINECS 212-757-6, Acetic acid, phosphono-, triethyl ester, ETHYL (DIETHOXYPHOSPHINYL)ACETATE, NSC 13898

Molecular Formula:	C₈H₁₇O₅P	Molecular Weight:	224.191341 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: GGUBFICZYGKNTD-UHFFFAOYSA-N

• Trimethyl Phosphonoacetate

IUPAC Name: methyl 2-dimethoxyphosphorylacetate | CAS Registry Number: 5927-18-4
Synonyms: Trimethyl phosphonoacetate, Trimethyl phosphonacetate, Trimethylacetyl phosphate, bmse000156, T79758_ALDRICH, 79527_FLUKA, BB_SC-5356, CID80029, NSC84262, EINECS 227-663-0, NSC 84262, ZINC01736750, Acetic acid, (dimethoxyphosphinyl)-, methyl ester, Acetic acid, 2-(dimethoxyphosphinyl)-, methyl ester, I04-0326, 51298-31-8

Molecular Formula:	C₅H₁₁O₅P	Molecular Weight:	182.111601 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: SIGOIUCRXKUEIG-UHFFFAOYSA-N

• Undecanoic acid

IUPAC Name: undecanoic acid | CAS Registry Number: 112-37-8
Synonyms: UNDECANOIC ACID, Undecylic acid, Hendecanoic acid, n-Undecanoic acid, n-Undecoic acid, n-Undecylic acid, Undecoic acid, Undekansaeure, 1-Decanecarboxylic acid, Acid C-11, FEMA No. 3245, NCIOpen2_009435, WLN: QV10, CH3-[CH2]9-COOH, W324507_ALDRICH, NSC7885, 171476_ALDRICH, NSC 7885, 89764_FLUKA, CHEBI:32368

Molecular Formula:	C₁₁H₂₂O₂	Molecular Weight:	186.291180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZDPHROOEEOARMN-UHFFFAOYSA-N

• Undecanoyl chloride

IUPAC Name: undecanoyl chloride | CAS Registry Number: 17746-05-3
Synonyms: n-Undecanoyl chloride, 249432_ALDRICH, MolPort-003-928-549, LTBB002130, CID87287, NSC83585, EINECS 241-741-1, NSC 83585, U0026

Molecular Formula:	C₁₁H₂₁ClO	Molecular Weight:	204.736840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JUKPJGZUFHCZQI-UHFFFAOYSA-N

• 1-Naphthoic Acid

IUPAC Name: naphthalene-1-carboxylic acid | CAS Registry Number: 86-55-5
Synonyms: 1-NAPHTHOIC ACID, 1-Carboxynaphthalene, alpha-Naphthoic acid, Carboxynaphthalene, 1-Naphthalenecarboxylic acid, NAPHTHOIC ACID, Naphthalenecarboxylic acid, .alpha.-Naphthoic acid, alpha-Naphthylcarboxylic acid, N1909_ALDRICH, naphthalene-1-carboxylic acid, Naphthalene-alpha-carboxylic acid, 70389_FLUKA, 70390_FLUKA, CHEBI:36466, EINECS 201-681-9, NSC 37569, AIDS034420, AIDS-034420, NSC37569

Molecular Formula:	C₁₁H₈O₂	Molecular Weight:	172.180020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LNETULKMXZVUST-UHFFFAOYSA-N

• 2-Furoyl Chloride

IUPAC Name: furan-2-carbonyl chloride | CAS Registry Number: 527-69-5
Synonyms: 2-Furoyl chloride, Furoyl chloride, 2-Furancarbonyl chloride, Furan-2-carbonyl chloride, 149861_ALDRICH, EINECS 208-422-9, EINECS 215-082-5, SBB004224, ZINC01846582, LS-70090, InChI=1/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3, 1300-32-9

Molecular Formula:	C₅H₃ClO₂	Molecular Weight:	130.529120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OFTKFKYVSBNYEC-UHFFFAOYSA-N

• (E)-Ferulic acid

IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | CAS Registry Number: 537-98-4
Synonyms: ferulic acid, ferulate, Ferulic acid, trans-, 4-Hydroxy-3-methoxycinnamic acid, Spectrum5_000554, ferulic acid, (E)-isomer, BSPBio_003168, FERULIC ACID (TRANS), MLS001066385, MLS001332483, MLS001332484, SPECTRUM1501017, W518301_ALDRICH, 128708_ALDRICH, CCRIS 7575, Cinnamic acid, 4-hydroxy-3-methoxy-, 46278_FLUKA, CHEBI:17620, EINECS 208-679-7, trans-4-Hydroxy-3-methoxycinnamic acid

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N

• 3,5-Dibromo-4-hydroxybenzoic acid

IUPAC Name: 3,5-dibromo-4-hydroxybenzoic acid | CAS Registry Number: 3337-62-0
Synonyms: Bromoxynylbenzoic acid, 3,5-Dibromo-4-hydroxybenzoate, Benzoic acid, 3,5-dibromo-4-hydroxy-, CHEBI:1395, AIDS018050, AIDS-018050, CID76857, NSC21184, EINECS 222-075-0, NSC 21184, SBB006717, TL8002527, C03925, InChI=1/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12

Molecular Formula:	C₇H₄Br₂O₃	Molecular Weight:	295.912860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PHWAJJWKNLWZGJ-UHFFFAOYSA-N

• 3-Methyl-2-Thiophenecarboxaldehyde

IUPAC Name: 3-methylthiophene-2-carbaldehyde | CAS Registry Number: 5834-16-2
Synonyms: 3-Methyl-2-thiophenecarboxaldehyde, 3-Methylthiophene-2-aldehyde, 164135_ALDRICH, 3-Methylthiophene-2-carboxaldehyde, 3-Methylthiophene-2-carbaldehyde, ZINC00157152, CID79911, EINECS 227-418-8, ST5213340, TL8003739

Molecular Formula:	C₆H₆OS	Molecular Weight:	126.176240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BSQKBHXYEKVKMN-UHFFFAOYSA-N

• 4-Benzyloxy Propiophenone

IUPAC Name: 1-[4-(phenylmethoxy)phenyl]propan-1-one | CAS Registry Number: 4495-66-3
Synonyms: p-Benzyloxypropiophenone, NSC41188, EINECS 224-788-2, ZINC00388304, 1-Propanone, 1-[4-(phenylmethoxy)phenyl]-, ST5308468

Molecular Formula:	C₁₆H₁₆O₂	Molecular Weight:	240.297040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IKFGSOJYHVTNDV-UHFFFAOYSA-N

• 2-Chloro-5-pyridylboronic acid pinacol ester

IUPAC Name: 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | CAS Registry Number: 444120-94-9
Synonyms: Ambad112, 659843_ALDRICH, 6-Chloropyridine-3-boronic acid pinacol ester, 6-Chloropyridin-3-ylboronic acid pinacol ester, 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Molecular Formula:	C₁₁H₁₅BClNO₂	Molecular Weight:	239.506300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IEFBTHROULVUAH-UHFFFAOYSA-N

• 4-Bromo-2-Propylthiophene

IUPAC Name: 4-bromo-2-propylthiophene | CAS Registry Number: 36155-79-0
Synonyms: 4-BROMO 2-PROPYL THIOPHENE, 4-bromo2-propylthiophene, SureCN2600221, CTK4H6007, AG-F-25886, KB-189788, FT-0617797

Molecular Formula:	C₇H₉BrS	Molecular Weight:	205.115360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WUCPCORZZJWVHG-UHFFFAOYSA-N

• 5-Methyl-8-Quinolinol

IUPAC Name: 5-methylquinolin-8-ol | CAS Registry Number: 5541-67-3
Synonyms: Tiliquinol, Tiliquinolum, 5-Methyl-8-quinolinol, 5-Methylquinolin-8-ol, Tiliquinolum [INN-Latin], UNII-813OG1OGVG, 5-Methyl-8-hydroxyquinoline, Oprea1_613347, AIDS020545, AIDS-020545, CID71208, EINECS 226-905-2, NSC130828, ZINC00002171, NSC 130828, NCGC00164506-01, LT00013759

Molecular Formula:	C₁₀H₉NO	Molecular Weight:	159.184560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RPVGLMKJGQMQSN-UHFFFAOYSA-N

• (S)-(-)-2-Phenyl-1-Propanol

IUPAC Name: (2S)-2-phenylpropan-1-ol | CAS Registry Number: 37778-99-7
Synonyms: (S)-(-)-2-Phenyl-1-propanol, (S)-2-Phenyl-1-propanol, (2S)-2-phenylpropan-1-ol, (S)-beta-Methylphenethyl alcohol, (-)-2-Phenylpropanol, 2-PHENYL-PROPANOL, SureCN60429, 2(S)-Phenyl-1-propanol, AC1L9L3C, AC1Q29GV, (S)-2-Phenylpropan-1-ol, (-)-2-Phenyl-1-propanol, (-)-beta-Methylbenzeneethanol, UNII-W7Q89429ZO, 461415_ALDRICH, S-(-)-2-Phenyl-1-propanol, (S)-|A-Methylphenethyl alcohol, 2-Phenyl-1-propanol, (-)-, 2-Phenylpropyl alcohol, (-)-, 78929_FLUKA

Molecular Formula:	C₉H₁₂O	Molecular Weight:	136.190980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RNDNSYIPLPAXAZ-MRVPVSSYSA-N

• 2'-Hydroxypropiophenone

IUPAC Name: 1-(2-hydroxyphenyl)propan-1-one | CAS Registry Number: 610-99-1
Synonyms: o-Propiophenol, 2-Hydroxypropiophenone, 2-Propionylphenol, 2-(Propionyl)phenol, o-Hydroxypropiophenone, ortho-Hydroxypropiophenone, Propiophenone, 2'-hydroxy-, H55103_ALDRICH, 1-Propanone, 1-(2-hydroxyphenyl)-, STOCK4S-98770, NSC3785, 1-(2-hydroxyphenyl)propan-1-one, EINECS 210-244-1, ZINC00391093, AI3-11684, 1-(2-HYDROXYPHENYL)-PROPANONE (2-HYDROXY-PROPIOPHENONE), InChI=1/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KDUWXMIHHIVXER-UHFFFAOYSA-N

• 4-Hydroxybenzophenone

IUPAC Name: (4-hydroxyphenyl)-phenylmethanone | CAS Registry Number: 1137-42-4
Synonyms: p-Benzoylphenol, 4-Benzoylphenol, P-HYDROXYBENZOPHENONE, Benzophenone, 4-hydroxy-, 4'-Hydroxybenzophenone, para-hydroxybenzophenone, (4-Hydroxyphenyl)phenylmethanone, Methanone, (4-hydroxyphenyl)phenyl-, (4-Hydroxyphenyl)(phenyl)methanone, H20202_ALDRICH, nchembio.2007.32-comp8, 4-HYDROXY-BENZOPHENONE, NSC 1887, 4-hydroxybenzophenone, ion(1-), 54800_FLUKA, EINECS 214-507-1, NSC1887, STK045122, ZINC00388760, AI3-00862

Molecular Formula:	C₁₃H₁₀O₂	Molecular Weight:	198.217300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NPFYZDNDJHZQKY-UHFFFAOYSA-N

• 5-Methyl-2-thiophenecarboxaldehyde

IUPAC Name: 5-methylthiophene-2-carbaldehyde | CAS Registry Number: 13679-70-4
Synonyms: 2-Formyl-5-methylthiophene, 5-Methyl-2-formylthiophene, 5-Methyl-2-thenaldehyde, 5-Methylthiophene-2-aldehyde, 5-METHYL-2-THIOPHENECARBOXALDEHYDE, M84410_ALDRICH, W320900_ALDRICH, FEMA No. 3209, 5-Methylthiophene-2-carbaldehyde, 69380_FLUKA, 2-Thiophenecarboxaldehyde, 5-methyl-, 5-Methyl-2-thiophencarboxaldehyde, NSC87542, EINECS 237-178-6, NSC 87542, SBB004249, ZINC00152265, TL8000853, InChI=1/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H

Molecular Formula:	C₆H₆OS	Molecular Weight:	126.176240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VAUMDUIUEPIGHM-UHFFFAOYSA-N

• 2-Thiophenecarboxylic acid hydrazide

IUPAC Name: thiophene-2-carbohydrazide | CAS Registry Number: 2361-27-5
Synonyms: 2-Thenoylhydrazine, Thiophene-2-carbohydrazide, 2-Thiophenecarbohydrazonic acid, NSC653, T1388_SIGMA, 2-Thienylcarboxylic acid hydrazide, ARONIS019389, Thiophene-2-carboxylic acid hydrazide, NSC 653, 2-Thiophenecarboxylic acid, hydrazide, AIDS043890, AIDS-043890, EINECS 219-107-0, NSC120045, ZINC00153618, ST5214225, 2-Thiophenecarboxylic acid, hydrazide (8CI)(9CI)

Molecular Formula:	C₅H₆N₂OS	Molecular Weight:	142.178940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: SOGBOGBTIKMGFS-UHFFFAOYSA-N

• 3-Amino-2-methylbenzotrifluoride

IUPAC Name: 2-methyl-3-(trifluoromethyl)aniline | CAS Registry Number: 54396-44-0
Synonyms: 375705_ALDRICH, 3-(Trifluoromethyl)-o-toluidine, 2-Methyl-3-(trifluoromethyl)aniline, 2-Methyl-3-trifluoromethylaniline, ZINC00153952, JRD-0731, EINECS 259-145-5, CID2735932, ST5407096, TL8003565

Molecular Formula:	C₈H₈F₃N	Molecular Weight:	175.151030 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: TWLDBACVSHADLI-UHFFFAOYSA-N

• 2-(2-Aminoethyl)-1,3-dioxolane

IUPAC Name: 2-(1,3-dioxolan-2-yl)ethanamine | CAS Registry Number: 5754-35-8
Synonyms: 1,3-Dioxolane-2-ethylamine, EINECS 227-277-2, CID79827

Molecular Formula:	C₅H₁₁NO₂	Molecular Weight:	117.146340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JNAQYWWCTUEVKR-UHFFFAOYSA-N

• 3-Thiophenecarboxylic acid

IUPAC Name: thiophene-3-carboxylic acid | CAS Registry Number: 88-13-1
Synonyms: 3-Thenoic acid, beta-Thiophenic acid, 3-Thienylcarboxylic acid, .beta.-Thiophenic acid, beta-Thiophenecarboxylic acid, Thiophene-3-carboxylic acid, .beta.-Thiophenecarboxylic acid, NCIOpen2_000030, 247766_ALDRICH, 88995_FLUKA, EINECS 201-802-5, NSC 66314, 3-THIOPHENE CARBOXYLIC ACID, NSC66314, BRN 0001994, SBB004240, TL806308, LS-152973, 5-18-06-00199 (Beilstein Handbook Reference)

Molecular Formula:	C₅H₄O₂S	Molecular Weight:	128.149060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YNVOMSDITJMNET-UHFFFAOYSA-N

• 4-pyridinepropanol

IUPAC Name: 3-pyridin-4-ylpropan-1-ol | CAS Registry Number: 2629-72-3
Synonyms: 4-Pyridinepropanol, 4-(3-Hydroxypropyl)pyridine, 3-pyridin-4-ylpropan-1-ol, 3-(4-Pyridyl)-1-propanol, 3-(4-Pyridyl)propan-1-ol, 385646_ALDRICH, NSC3720, AIDS020384, AIDS-020384, NSC 3720, NSC66565, EINECS 220-107-8, NSC 66565, RTE2_000004, AI3-24361, InChI=1/C8H11NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,1-2,7H

Molecular Formula:	C₈H₁₁NO	Molecular Weight:	137.179040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PZVZGDBCMQBRMA-UHFFFAOYSA-N

• 2,4-Dihydroxythieno[3,2-d]pyrimidine

IUPAC Name: 1H-thieno[3,2-d]pyrimidine-2,4-dione | CAS Registry Number: 16233-51-5
Synonyms: 1H-thieno[3,2-d]pyrimidine-2,4-dione, thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, thieno[3,2-d]pyrimidine-2,4-diol, 2-hydroxythieno[3,2-d]pyrimidin-4(3H)-one, ZINC03866599, AC1OEMBV, PubChem19392, SureCN55302, SureCN189932, KSC173Q6T, CHEMBL1859885, CTK0H3869, MolPort-009-197-410, MolPort-019-910-664, DNDI1340260, ANW-52123, BBL006730, BBL007466, STL134598, STL145106

Molecular Formula:	C₆H₄N₂O₂S	Molecular Weight:	168.173160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QAFVXBQPQCSSLI-UHFFFAOYSA-N

• 3-Piperidin-4-yl-propan-1-ol

IUPAC Name: 3-piperidin-4-ylpropan-1-ol | CAS Registry Number: 7037-49-2
Synonyms: 4-Piperidinepropanol, 3-piperidin-4-ylpropan-1-ol, 4-(3-Hydroxypropyl)piperidine, ALBB-005228, CID81497, EINECS 230-318-7, BAS 10150520, ST5401539, TL8004964

Molecular Formula:	C₈H₁₇NO	Molecular Weight:	143.226680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DBIMLJDSPUCGGY-UHFFFAOYSA-N

• 3-Methyl-2-Thiophenecarboxylic Acid

IUPAC Name: 3-methylthiophene-2-carboxylic acid | CAS Registry Number: 23806-24-8
Synonyms: 3-Methyl-2-thiophenecarboxylic acid, 3-Methyl-2-thenoic acid, 248207_ALDRICH, 3-Methylthiophene-2-carboxylic acid, EINECS 245-894-5, ST5306827, TL8001966

Molecular Formula:	C₆H₆O₂S	Molecular Weight:	142.175640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IFLKEBSJTZGCJG-UHFFFAOYSA-N

• 2-Chlorothiophene-5-formic acid

IUPAC Name: 5-chlorothiophene-2-carboxylic acid | CAS Registry Number: 24065-33-6
Synonyms: 5-Chloro-2-thiophenecarboxylic acid, Maybridge3_003717, 5-Chlorothiophene-2-carboxylic acid, 633003_ALDRICH, 2-Thiophenecarboxylic acid, 5-chloro-, NSC 14776, AIDS018342, AIDS-018342, ALBB-000787, NSC14776, BRN 0118361, SBB003937, AI3-61740, IDI1_015104, LS-152999, 5-18-06-00177 (Beilstein Handbook Reference)

Molecular Formula:	C₅H₃ClO₂S	Molecular Weight:	162.594120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QZLSBOVWPHXCLT-UHFFFAOYSA-N

• 5-Methyl-2-thiophenecarboxylic acid

IUPAC Name: 5-methylthiophene-2-carboxylic acid | CAS Registry Number: 1918-79-2
Synonyms: 2-Carboxy-5-methylthiophene, M84429_ALDRICH, 5-Methylthiophene-2-carboxylic acid, 5-METHYL-2-THIOPHENECARBOXYLIC ACID, 2-Thiophenecarboxylic acid, 5-methyl-, ALBB-000788, NSC89698, 2-Methyl-5-thiophenecarboxylic acid, EINECS 217-640-3, SBB004146, TL8001570, AI-942/25034216

Molecular Formula:	C₆H₆O₂S	Molecular Weight:	142.175640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VCNGNQLPFHVODE-UHFFFAOYSA-N

• 2',4'-Dimethoxyacetophenone

IUPAC Name: 1-(2,4-dimethoxyphenyl)ethanone | CAS Registry Number: 829-20-9
Synonyms: 2,4-Dimethoxyacetophenone, Resacetophenone dimethyl ether, D129402_ALDRICH, NSC46645, Acetophenone, 2',4'-dimethoxy-, Ethanone, 1-(2,4-dimethoxyphenyl)-, CID70016, EINECS 212-587-2, ZINC01678791, 1-(2,4-Dimethoxyphenyl)ethan-1-one, SDCCGMLS-0066943.P001, AI3-10505, ST5214359

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VQTDPCRSXHFMOL-UHFFFAOYSA-N

• 5-Norbornene-2-Nitrile

IUPAC Name: bicyclo[2.2.1]hept-2-ene-6-carbonitrile | CAS Registry Number: 95-11-4
Synonyms: 5-NORBORNENE-2-CARBONITRILE, 5-Norbornene-2-carbonitrile, endo-, 150576_ALDRICH, WLN: L55 A CUTJ FCN, EINECS 202-391-5, NSC 46416, Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, BRN 2042173, BRN 3195856, 5-Cyanobicyclo[2.2.1]hept-2-ene, endo-2-Cyanobicyclo(2-2-1)hept-5-ene, NSC147246, SBB007934, AI3-05928, Bicyclo(2.2.1)hept-5-ene-2-carbonitrile, Bicyclo(2.2.1)hept-5-ene-2-carbonitrile, endo-, FR-0612, LS-97157, LS-97158, 5-Norbornene-2-carbonitrile, mixture of isomers

Molecular Formula:	C₈H₉N	Molecular Weight:	119.163760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BMAXQTDMWYDIJX-UHFFFAOYSA-N

• (+)-Pinanediol

IUPAC Name: (1S,3R,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol | CAS Registry Number: 18680-27-8
Synonyms: (1S,2S,3R,5S)-(+)-2,3-pinanediol, (1S,2S,3R,5S)-(+)-Pinanediol, (+)-2-Hydroxyisopinocampheol, (1S,2S,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol, (1S,2S,3R,5S)-2,3-Pinanediol, Pinanediol, (+)-, PubChem17357, UNII-Y6ZCV4AVRA, 2alpha,3alpha-Pinanediol, SureCN621468, KSC174G4P, Jsp003826, CTK0H4347, MolPort-002-904-005, ACN-S003508, ACT02840, ANW-23308, CX1160, ZINC02539352, AKOS005256255

Molecular Formula:	C₁₀H₁₈O₂	Molecular Weight:	170.248720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MOILFCKRQFQVFS-OORONAJNSA-N

• 2-Acetyl-4-methylthiophene

IUPAC Name: 1-(4-methylthiophen-2-yl)ethanone | CAS Registry Number: 13679-73-7
Synonyms: 1-(4-Methyl-2-thienyl)ethanone, Ethanone, 1-(4-methyl-2-thienyl)-, 633046_ALDRICH, NSC80386, EINECS 237-180-7, ZINC01596527, 1-(4-Methyl-2-thienyl)ethan-1-one, AI3-61742

Molecular Formula:	C₇H₈OS	Molecular Weight:	140.202820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: NFZNHUNPIJPRMP-UHFFFAOYSA-N

• 4-Methylvaleryl chloride

IUPAC Name: 4-methylpentanoyl chloride | CAS Registry Number: 38136-29-7
Synonyms: Pentanoyl chloride, 4-methyl-, MolPort-001-794-695, EINECS 253-801-4, CID170008, ZINC02566212, BBV-188422, LS-192266

Molecular Formula:	C₆H₁₁ClO	Molecular Weight:	134.603940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: SVWCVXFHTHCJJB-UHFFFAOYSA-N

• 2,5-Dichlorothiophene

IUPAC Name: 2,5-dichlorothiophene | CAS Registry Number: 3172-52-9
Synonyms: 2,5-DICHLOROTHIOPHENE, 2,-Dichlorothiophene, Thiophene, 2,5-dichloro-, D75807_ALDRICH, AIDS018336, AIDS-018336, NSC60527, EINECS 221-638-8, NSC 60527, ZINC01690277, SB 00617, TL8002424, InChI=1/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2

Molecular Formula:	C₄H₂Cl₂S	Molecular Weight:	153.029680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: FGYBDASKYMSNCX-UHFFFAOYSA-N

• 4-Methoxybenzonitrile

IUPAC Name: 4-methoxybenzonitrile | CAS Registry Number: 874-90-8
Synonyms: p-Anisonitrile, p-Anisylnitrile, p-Cyanoanisole, 4-Cyanoanisole, Anisonitrile, p-Methoxybenzonitrile, Benzonitrile, 4-methoxy-, p-Methoxyphenyl cyanide, ANISYL CYANIDE, p-Anisonitrile (8CI), 1-methoxy-4-cyano-benzene, NCIOpen2_000576, 132470_ALDRICH, NSC3777, CID70129, NSC 3777, NSC71539, EINECS 212-871-6, NSC 71539, ZINC00159092

Molecular Formula:	C₈H₇NO	Molecular Weight:	133.147280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XDJAAZYHCCRJOK-UHFFFAOYSA-N

• 3-Methylvaleric Acid

IUPAC Name: 3-methylpentanoic acid | CAS Registry Number: 105-43-1
Synonyms: 3-Methylvaleric acid, Valeric acid, 3-methyl-, 3-methyl valeric acid, Pentanoic acid, 3-methyl-, beta-Methylvaleric acid, Butylacetic acid, sec-, 3-methyl-pentanoic acid, 3-Methyl pentanoic acid, 3-METHYLPENTANOIC ACID, ()-3-Methylvaleric acid, W343706_ALDRICH, FEMA No. 3437, 222453_ALDRICH, 2-Methylbutane-1-carboxylic acid, EINECS 203-297-7, LMFA01020075, SBB008180, FR-1017, 22160-40-3

Molecular Formula:	C₆H₁₂O₂	Molecular Weight:	116.158280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IGIDLTISMCAULB-UHFFFAOYSA-N

• 4-Methylpentanoic acid

IUPAC Name: 4-methylpentanoic acid | CAS Registry Number: 646-07-1
Synonyms: Isocaproic acid, Isohexanoic acid, 4-Methylvaleric acid, Isobutylacetic acid, Pentanoic acid, 4-methyl-, Valeric acid, 4-methyl-, 4-METHYLPENTANOIC ACID, 4-methyl-pentanoic acid, 4,4-Dimethylbutanoic acid, 4-METHYL VALERIC ACID, FEMA No. 3463, Isohexanoic acid (mixed isomers), W346306_ALDRICH, 3-Methylbutane-1-carboxylic acid, 277827_ALDRICH, Isohexanoic acid, mixed isomers, WLN: QV2Y1&1, NSC 4126, 58720_FLUKA, EINECS 211-464-0

Molecular Formula:	C₆H₁₂O₂	Molecular Weight:	116.158280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FGKJLKRYENPLQH-UHFFFAOYSA-N

• 2-Phenoxy ethyl bromide

IUPAC Name: 2-bromoethoxybenzene | CAS Registry Number: 589-10-6
Synonyms: beta-Bromophenetole, (2-Bromoethoxy)benzene, Benzene, (2-bromoethoxy)-, 2-Phenoxyethyl bromide, 2-Bromoethyl phenyl ether, 2-Phenoxyethylbromide, Phenetole, .beta.-bromo-, .beta.-Bromophenetole, beta-Phenoxyethyl bromide, 1-Bromo-2-phenoxyethane, .beta.-Phenoxyethyl bromide, B75506_ALDRICH, Phenetole, beta-bromo- (8CI), NSC8055, AIDS017817, AIDS-017817, CID68526, NSC 8055, EINECS 209-634-4, ZINC03860240

Molecular Formula:	C₈H₉BrO	Molecular Weight:	201.060460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JJFOBACUIRKUPN-UHFFFAOYSA-N

• 5-Chlorothiophene-2-Sulfonamide

IUPAC Name: 5-chlorothiophene-2-sulfonamide | CAS Registry Number: 53595-66-7
Synonyms: 5-Chloro-2-thiophenesulfonamide, 542695_ALDRICH, 2-Thiophenesulfonamide, 5-chloro-, 5-Chlorothiophene-2-sulfonamide, 2-Chloro thiophene-5-sulfonamide, BRN 0130728, SBB003565, ZINC01037567, LS-153170, TL8006899, 4-18-00-06708 (Beilstein Handbook Reference)

Molecular Formula:	C₄H₄ClNO₂S₂	Molecular Weight:	197.663060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: RKLQLYBJAZBSEU-UHFFFAOYSA-N

• 2-(2-Bromoethyl)-1,3-Dioxolane

IUPAC Name: 2-(2-bromoethyl)-1,3-dioxolane | CAS Registry Number: 18742-02-4
Synonyms: Ambap5852, 2-(2-Bromoethyl)-1,3-dioxolane, 230995_ALDRICH, 1,3-Dioxolane, 2-(2-bromoethyl)-, EINECS 242-551-1, ZINC02242714, 3-Bromopropionaldehyde ethylene acetal

Molecular Formula:	C₅H₉BrO₂	Molecular Weight:	181.027760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GGZQLTVZPOGLCC-UHFFFAOYSA-N