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• A-Butyrolactone
IUPAC Name: oxolan-2-one | CAS Registry Number: 96-48-0
Synonyms: gamma-Butyrolactone, 4-Butyrolactone, Butyrylactone, Butyryl lactone, BUTYROLACTONE, 4-Butanolide, 1,2-Butanolide, 1,4-Butanolide, 2-Oxolanone, gamma-BL, 4-Deoxytetronic acid, Butyric acid lactone, Agrisynth BLO, BLON, butyrl lactone, Dihydro-2-furanone, dihydrofuran-2(3H)-one, Tetrahydro-2-furanone, gamma-Butanolactone, 1,4-Lactone

Molecular Formula: C4H6O2Molecular Weight: 86.089240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• a-Methyl-3,4-Methylenedioxyhydrocinnamic Aldehyde
IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-methylpropanal | CAS Registry Number: 1205-17-0
Synonyms: W523909_ALDRICH, STOCK2S-10456, EINECS 214-881-6, NSC 22282, NSC22282, 1,3-Benzodioxole-5-propanal, .alpha.-methyl-, 1,3-Benzodioxole-5-propanal, alpha-methyl-, 3-(3,4-Methylenedioxyphenyl)-2-methyl-propanol, alpha-Methyl-1,3-benzodioxole-5-propionaldehyde, LS-185779, .alpha.-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde, 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal, alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde, Hydrocinnamaldehyde, alpha-methyl-3,4-(methylenedioxy)-, Hydrocinnamaldehyde, .alpha.-methyl-3,4-(methylenedioxy)-, Hydrocinnamaldehyde, alpha-methyl-3,4-(methylenedioxy)- (8CI)

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Abietic Acid
IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid | CAS Registry Number: 514-10-3
Synonyms: ABIETIC ACID, Abietate, Sylvic acid, l-Abietic acid, (-)-Abietic acid, Abietic acid, technical, Kyselina abietova [Czech], 7,13-Abietadien-18-oic acid, ABIETIC ACID, PRACT, Abieta-7,13-dien-18-oic acid, CCRIS 3183, A9424_SIGMA, NSC25149, 00010_FLUKA, CHEBI:28987, EINECS 208-178-3, NSC 25149, C20H30O2, 13-Isopropylpodocarpa-7,13-dien-15-oic acid, LMPR01040063

Molecular Formula: C20H30O2Molecular Weight: 302.451000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


• Acenaphthene
IUPAC Name: 1,2-dihydroacenaphthylene | CAS Registry Number: 83-32-9
Synonyms: ACENAPHTHENE, Naphthyleneethylene, 1,2-Dihydroacenaphthylene, Ethylenenaphthalene, 1,8-Ethylenenaphthalene, peri-Ethylenenaphthalene, Acenaphthylene, 1,2-dihydro-, Acenaphthene solution, ACENAPHTHYLENE, 1,8-Dihydroacenaphthalene, A104_ALDRICH, CCRIS 5951, 48500U_SUPELCO, HSDB 2659, 40001_SUPELCO, 48643_SUPELCO, 215376_ALDRICH, NSC 7657, CHEBI:22154, EINECS 201-469-6

Molecular Formula: C12H10Molecular Weight: 154.207800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0


• Acetal
IUPAC Name: 1,1-diethoxyethane | CAS Registry Number: 105-57-7
Synonyms: Diethyl acetal, Diethylacetal, Acetol, polyacetal, Diaethylacetal, Acetaal, Acetaal [Dutch], Ethane, 1,1-diethoxy-, 1,1-DIETHOXYETHANE, Acetal (natural), Acetale [Italian], Acetal diethylique, Ethane, diethoxy-, Ethylidene diethyl ether, Acetaldehyde, diethyl acetal, Acetaldehyde diethyl acetal, Ethylidenediethyl ether, 1,1-Dietossietano, Diaethylacetal [German], Acetaldehyde ethyl acetal

Molecular Formula: C6H14O2Molecular Weight: 118.174160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetaldehyde
IUPAC Name: acetaldehyde | CAS Registry Number: 75-07-0
Synonyms: acetaldehyde, ethanal, acetic aldehyde, ethyl aldehyde, Acetylaldehyde, aldehyde, Acetic ethanol, Acetaldehyd, acetaldehydes, ethaldehyde, Ethylaldehyde, Acetaldeyde, Aceteldehyde, Azetaldehyd, Aldeide acetica, Octowy aldehyd, Aldehyde acetique, Acetaldehyde (natural), Acetaldehyd [German], Acetaldehyde solution

Molecular Formula: C2H4OMolecular Weight: 44.052560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1


• Acetaldehyde Dimethyl Acetal
IUPAC Name: 1,1-dimethoxyethane | CAS Registry Number: 534-15-6
Synonyms: Dimethyl acetal, Dimethylacetal, Methyl formyl, Dimethoxyethane, Dimethyl aldehyde, Ethane, 1,1-dimethoxy-, 1,1-DIMETHOXYETHANE, Ethane, dimethoxy-, Acetaldehyde dimethyl acetal, Acetaldehyde, dimethyl acetal, Ethylidene dimethyl ether, Acetaldehyde methyl acetal, 3-Methyl-2,4-dioxapentane, FEMA No. 3426, HSDB 5427, W342602_ALDRICH, 385395_ALDRICH, 00120_FLUKA, EINECS 208-589-8, UN2377

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetaldehyde linalyl ethyl acetal
IUPAC Name: 3-(1-ethoxyethoxy)-3,7-dimethylocta-1,6-diene | CAS Registry Number: 40910-49-4
Synonyms: Elintaal, Ethyllinalyl acetal, Linalool ethyl acetal, 1-Ethoxy-1-linalyloxethane, Acetaldehyde ethyl linalyl acetal, EINECS 255-138-6, Acetaldehyde linalyl ethyl acetal 1, BRN 3082409, CID162027, LS-97784, 1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-, 3,7-Dimethyl-3-(1-ethoxyethoxy)-1,6-octadiene, 3-(1-Ethoxyethoxy)-3,7-dimethylocta-1,6-diene, 1,6-Octadiene, 3,7-dimethyl-3-(1-ethoxyethoxy)-

Molecular Formula: C14H26O2Molecular Weight: 226.355040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetaldehyde Phenylethyl Propyl Acetal
IUPAC Name: 2-(1-propoxyethoxy)ethylbenzene | CAS Registry Number: 7493-57-4
Synonyms: Pepital, Acetal R, Propyl phenethyl acetal, 1-Phenethoxy-1-propoxyethane, FEMA No. 2004, Acetaldehyde phenethyl propyl acetal, W200409_ALDRICH, Acetaldehyde propyl phenylethyl acetal, (2-(1-Propoxyethoxy)ethyl)benzene, EINECS 231-327-9, Acetaldehyde phenylethyl propyl acetal, Benzene, (2-(1-propoxyethoxy)ethyl)-, LS-7928, ACETALDEHYDE, PHENETHYL PROPYL ACETAL, Benzene, [2-(1-propoxyethoxy)ethyl]-

Molecular Formula: C13H20O2Molecular Weight: 208.296700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetamide
IUPAC Name: acetamide | CAS Registry Number: 60-35-5
Synonyms: acetamide, Ethanamide, Acetic acid amide, Acetimidic acid, Methanecarboxamide, Ethanimidic acid, acetamid, Essigsaeureamid, Azetamid, Ethanamid, Amide C2, Caswell No. 003H, CCRIS 2, Acetimidic acid (VAN), CH3CONH2, Lopac-A-0500, acetamide, monosodium salt, Amid kyseliny octove [Czech], HSDB 4006, WLN: ZV1

Molecular Formula: C2H5NOMolecular Weight: 59.067200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1


• Acetamide Acetic Acid
IUPAC Name: acetamide; acetic acid

Molecular Formula: C4H9NO3Molecular Weight: 119.119160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3


• Acetaminophen
IUPAC Name: N-(4-hydroxyphenyl)acetamide | CAS Registry Number: 103-90-2
Synonyms: acetaminophen, Paracetamol, Tylenol, Datril, Acetaminofen, Algotropyl, Naprinol, 4-Acetamidophenol, Lonarid, Panadol, Acamol, Anelix, Multin, APAP, p-Acetamidophenol, p-Acetaminophenol, Paracetamolo, Abensanil, Acetagesic, Acetalgin

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2


• Acetanilide
IUPAC Name: N-phenylacetamide | CAS Registry Number: 103-84-4
Synonyms: acetanilide, N-Phenylacetamide, Antifebrin, Acetylaniline, Acetanilid, Acetanil, Acetamidobenzene, N-Acetylaniline, Acetoanilide, Phenalgene, Phenalgin, Acetylaminobenzene, Acetic acid anilide, Ethananilide, Acetamide, N-phenyl-, 2-Acetanilide, N-acetylarylamine, Aniline, N-acetyl-, Benzenamine, N-acetyl-, N-Acetylaminobenzene

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1


• Acetate C-10
IUPAC Name: decyl acetate | CAS Registry Number: 112-17-4
Synonyms: n-Decyl acetate, Decanyl acetate, Decyl ethanoate, Capryl acetate, n-Decyl ethanoate, 1-Decanol acetate, 1-Decyl acetate, Acetic acid, decyl ester, Acetate C 10, DECYL ACETATE, Decyl alcohol, acetate, FEMA No. 2367, W236705_ALDRICH, Decyl alcohol, acetate (6CI), EINECS 203-942-2, CID8167, NSC 46131, NSC46131, LMFA05000260, AI3-11098

Molecular Formula: C12H24O2Molecular Weight: 200.317760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetates
IUPAC Name: 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-yl acetate

Molecular Formula: C12H20O3Molecular Weight: 212.285400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Acetic Acid
IUPAC Name: acetic acid | CAS Registry Number: 64-19-7
Synonyms: acetic acid, ethanoic acid, Acetasol, Glacial acetic acid, Ethylic acid, Vinegar acid, Essigsaeure, Acetic acid, glacial, Otic Tridesilon, Otic Domeboro, acetate, Aci-jel, Azijnzuur, Pyroligneous acid, Vinegar, ethoic acid, Acide acetique, Barium acetate, Sodium acetate, Acido acetico

Molecular Formula: C2H4O2Molecular Weight: 60.051960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


• Acetic Acid Benzyl Ester
IUPAC Name: phenylmethyl acetate | CAS Registry Number: 140-11-4
Synonyms: BENZYL ACETATE, Benzyl ethanoate, benzylacetate, Phenylmethyl acetate, Acetic acid, benzyl ester, Phenylmethyl ethanoate, alpha-Acetoxytoluene, Acetic acid, phenylmethyl ester, nchem.167-comp5, Caswell No. 081EA, Acetic acid benzyl ester, (Acetoxymethyl)benzene, Benzyl acetate (natural), .alpha.-Acetoxytoluene, ACETATO DE BENCILO, FEMA No. 2135, CCRIS 1423, NCI-C06508, WLN: 1VO1R, B15805_ALDRICH

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetic Anhydride
IUPAC Name: acetyl acetate | CAS Registry Number: 108-24-7
Synonyms: ACETIC ANHYDRIDE, Acetanhydride, Acetyl oxide, Acetyl acetate, Acetic oxide, Acetyl ether, Ethanoic anhydride, Acetyl anhydride, Acetic acid, anhydride, Anhydride acetique, Ethanoic anhydrate, Essigsaeureanhydrid, Caswell No. 003A, acetic acid anhydride, Azijnzuuranhydride [Dutch], Octowy bezwodnik [Polish], silane, acetyltrimethyl-, Anidride acetica [Italian], Anhydride acetique [French], Essigsaeureanhydrid [German]

Molecular Formula: C4H6O3Molecular Weight: 102.088640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Aceto Phenithidine
• Acetoacetanilide
IUPAC Name: 3-oxo-N-phenylbutanamide | CAS Registry Number: 102-01-2
Synonyms: ACETOACETANILIDE, Acetylacetanilide, Acetoacetamidobenzene, Acetoacetanilid, Acetoacetylaniline, Acetoacetic anilide, N-Phenylacetoacetamide, beta-Ketobutyranilide, 3-Oxo-N-phenylbutanamide, Acetoacetic acid anilide, N-(Acetylacetyl)aniline, Butanamide, 3-oxo-N-phenyl-, Acetanilide, 2-acetyl-, Acetoacetylaminobenzene, .beta.-Ketobutyranilide, ((Acetoacetyl)amino)benzene, .alpha.-Acetylacetanilide, USAF EK-1239, 1-(Phenylcarbamoyl)-2-propanone, alpha-Acetyl-N-phenylacetamide

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


• Acetoacetic Acid Methyl Ester
IUPAC Name: methyl 3-oxobutanoate | CAS Registry Number: 105-45-3
Synonyms: Methyl 3-oxobutanoate, Methylacetoacetate, Methyl acetylacetate, Methyl 3-oxobutyrate, METHYL ACETOACETATE, Methyl acetylacetonate, Acetoacetic methyl ester, Acetoacetic acid, methyl ester, Acetoacetic acid methyl ester, 1-Methoxybutane-1,3-dione, Butanoic acid, 3-oxo-, methyl ester, 3-Oxobutanoic acid methyl ester, CCRIS 2302, HSDB 1083, 537365_ALDRICH, 00500_FLUKA, 10913_FLUKA, 14610_FLUKA, EINECS 203-299-8, Methylester kyseliny acetoctove [Czech]

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Acetoacetic Acid N-Butyl Ester
IUPAC Name: butyl 3-oxobutanoate | CAS Registry Number: 591-60-6
Synonyms: Butyl acetoacetate, Butyl 3-oxobutanoate, Butyl 3-oxobutyrate, Butyl 3-ketobutyrate, Butyl 3-ketobutanoate, Acetoacetic acid, butyl ester, FEMA No. 2176, Butanoic acid, 3-oxo-, butyl ester, Butylester kyseliny acetoctove, WLN: 4OV1V1, EINECS 209-722-2, NSC 97211, Butylester kyseliny acetoctove [Czech], CID11576, NSC97211, BRN 1761408, ZINC01627234, LS-2592, 12F-934, 4-03-00-01536 (Beilstein Handbook Reference)

Molecular Formula: C8H14O3Molecular Weight: 158.194960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Acetoacetic Ester
IUPAC Name: ethyl 3-oxobutanoate | CAS Registry Number: 141-97-9
Synonyms: ethyl acetoacetate, ethyl 3-oxobutanoate, diacetic ether, ethyl acetylacetate, ethyl 3-oxobutyrate, ethyl acetylacetonate, Acetoacetic ester, Active acetylacetate, active acetyl acetate, ethyl-acetoacetate, Ethyl acetyl acetate, ethyl beta-ketobutyrate, acetoacetic acid, ethyl ester, Ethylacetacetat [Czech], Butanoic acid, 3-oxo-, ethyl ester, 1-Ethoxybutane-1,3-dione, Acetoctan ethylnaty [Czech], 3-oxobutanoic acid ethyl ester, FEMA No. 2415, CCRIS 1343

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Acetoaceticacid Benzylester
IUPAC Name: phenylmethyl 3-oxobutanoate | CAS Registry Number: 5396-89-4
Synonyms: Benzyl acetoacetate, Benzyl 3-oxobutanoate, AC-benzyl, Benzyl acetylacetate, Acetoacetic acid, benzyl ester, Benzyl beta-ketobutyrate, Phenylmethyl 3-oxobutanoate, Acetoacetic acid benzyl ester, W213608_ALDRICH, FEMA No. 2136, 295892_ALDRICH, 00445_FLUKA, 10898_FLUKA, Butanoic acid, 3-oxo-, phenylmethyl ester, NSC4391, NSC 4391, EINECS 226-416-4, CID142266, ZINC01673347, Acetoacetic acid, benzyl ester (8CI)

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Acetoacetyl-P-Phenylene Diamine
• Acetoin Butyrate
IUPAC Name: 3-oxobutan-2-yl butanoate | CAS Registry Number: 84642-61-5
Synonyms: Butan-3-one-2-yl butanoate, acetoin butyrate, Acetoyl butyrate, 1-Methyl-2-oxopropyl butyrate, FEMA No. 3332, 1-Methyl-2-oxopropyl butanoate, EINECS 283-438-7, Butan-3-one-2-yl butanoate (natural), Butanoic acid, 1-methyl-2-oxopropyl ester, Acetoin butanoate, AC1LB4VV, 3-oxobutan-2-yl butanoate, 2-Ketobutan-3-yl butanoate, 3-(butanoyloxy)-2-butanone, W333204_ALDRICH, AC1Q5C68, FEMA3332, SCHEMBL3857221, LJDWJXUIGKSETE-UHFFFAOYSA-N, AR-1H6423

Molecular Formula: C8H14O3Molecular Weight: 158.194960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Acetol
IUPAC Name: 1-hydroxypropan-2-one | CAS Registry Number: 116-09-6
Synonyms: Hydroxyacetone, Acetone alcohol, Acetylmethanol, Pyruvinalcohol, Methylketol, Pyruvic alcohol, 2-Oxopropanol, Methanol, acetyl-, 1-Hydroxyacetone, Hydroxypropanone, 1-Hydroxy-2-propanone, ACETYLCARBINOL, Hydroxy-2-propanone, 2-Propanone, 1-hydroxy-, Acetol (VAN), 2-Ketopropyl alcohol, 1-hydroxypropan-2-one, Hydroxymethyl methyl ketone, ACETOL, 50% SOLN, WLN: Q1V1

Molecular Formula: C3H6O2Molecular Weight: 74.078540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


• Acetone
IUPAC Name: propan-2-one | CAS Registry Number: 67-64-1
Synonyms: acetone, 2-propanone, propanone, Dimethyl ketone, Methyl ketone, Dimethylketal, Pyroacetic ether, Chevron acetone, Pyroacetic acid, Ketone propane, beta-Ketopropane, Aceton, Dimethylformaldehyde, Ketone, dimethyl, dimethylcetone, dimethylketone, Dimethylketon, Propanon, Azeton, Acetone (natural)

Molecular Formula: C3H6OMolecular Weight: 58.079140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1


• Acetone Anisylidine
• Acetonyl Acetone
IUPAC Name: hexane-2,5-dione | CAS Registry Number: 110-13-4
Synonyms: Acetonylacetone, 2,5-HEXANEDIONE, Acetonyl acetone, Diacetonyl, 2,5-Diketohexane, Acetone, acetonyl-, 2,5-Hexadione, acetone, acetonyl, 1,2-Diacetylethane, Hexane-2,5-dione, 2,5-Hexandione, ACAN, alpha,beta-Diacetylethane, .alpha.,.beta.-Diacetylethane, CCRIS 2919, MLS001065580, 165131_ALDRICH, WLN: 1V2V1, NSC 7621, 00770_FLUKA

Molecular Formula: C6H10O2Molecular Weight: 114.142400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetophenone
IUPAC Name: 1-phenylethanone | CAS Registry Number: 98-86-2
Synonyms: ACETOPHENONE, 1-Phenylethanone, Acetylbenzene, Methyl phenyl ketone, Acetophenon, Hypnone, Benzoyl methide, Phenyl methyl ketone, Ethanone, 1-phenyl-, Acetylbenzol, Benzoylmethide, Hypnon, Phenyl, Benzene, acetyl-, methylphenylketone, phenylmethylketone, 1-Phenyl-1-ethanone, Acetofenon [Czech], Ketone, methyl phenyl, 1-phenylethan-1-one

Molecular Formula: C8H8OMolecular Weight: 120.148520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1


• Acetovanillone
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone | CAS Registry Number: 498-02-2
Synonyms: apocynin, Acetoguaiacone, Apocynine, Acetoguaiacon, Acetovanilone, Acetovanyllon, Acetovanillon, 4-Acetyl-2-methoxyphenol, nchembio.83-comp20, 4'-Hydroxy-3'-methoxyacetophenone, 3-Methoxy-4-hydroxyacetophenone, Acetophenone, 4'-hydroxy-3'-methoxy-, CCRIS 7285, 1-(4-Hydroxy-3-methoxyphenyl)ethanone, 4-HYDROXY-3-METHOXYACETOPHENONE, WLN: 1VR DQ CO1, A10809_ALDRICH, Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-, MLS001304972, W508454_ALDRICH

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3


• Acetoxyacetone
IUPAC Name: 2-oxopropyl acetate | CAS Registry Number: 592-20-1
Synonyms: Acetol acetate, Acetonyl acetate, Acetoxypropanone, O-Acetylacetol, 2-Oxopropyl acetate, 1-Acetoxyacetone, Acetylmethyl acetate, Acetoxy-2-propanone, 1-Acetoxy-2-propanone, 2-Propanone, 1-(acetyloxy)-, 1-Hydroxy-2-propanone acetate, 2-Propanone, 1-hydroxy-, acetate, 00803_FLUKA, NSC2298, NSC7614, MolPort-003-925-023, CID11593, NSC 2298, NSC 7614, EINECS 209-746-3

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Acetyl Acetone (2 4-Pentanedione)
IUPAC Name: pentane-2,4-dione | CAS Registry Number: 123-54-6
Synonyms: Acetylacetone, 2,4-Pentanedione, Acetoacetone, Diacetylmethane, Pentanedione, 2,4-Dioxopentane, Pentane-2,4-dione, 2,4-Pentadione, ACAC, Acetone, acetyl-, Pentanedione-2,4, Acetyl 2-propanone, Hacac, Pentan-2,4-dione, 2-Propanone, acetyl-, ACETYL ACETONE, CCRIS 3466, NCIOpen2_000702, Benzil-related compound, 44, HSDB 2064

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetyl Butyryl
IUPAC Name: hexane-2,3-dione | CAS Registry Number: 3848-24-6
Synonyms: Acetylbutyryl, Acetyl butyryl, Butyryl acetyl, 2,3-HEXANEDIONE, Methyl propyl diketone, FEMA No. 2558, W255807_ALDRICH, 144169_ALDRICH, EINECS 223-350-8, NSC 31665, NSC31665, BRN 1699896, ZINC01663923, AI3-35989, LS-2795, 4-01-00-03687 (Beilstein Handbook Reference), C043231

Molecular Formula: C6H10O2Molecular Weight: 114.142400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetyl Choline Chloride
IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium chloride | CAS Registry Number: 60-31-1
Synonyms: Miochol, Arterocoline, Acecholin, Acecoline, Ovisot, Chloroacetylcholine, acetylcholine, ACH chloride, Azetylcholinchlorid, ACETYLCHOLINE CHLORIDE, Miochol (TN), Acetylcholinium chloride, O-Acetylcholine chloride, Choline, chloride acetate, MIOCHOL-E, Acetylcholine hydrochloride, Acetilcolina cloruro [DCIT], C7H16NO2.Cl, Choline acetate (ester) chloride, MLS000028640

Molecular Formula: C7H16ClNO2Molecular Weight: 181.660440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Acetyl Cysteine
IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid | CAS Registry Number: 616-91-1
Synonyms: acetylcysteine, N-Acetyl-L-cysteine, N-Acetylcysteine, Broncholysin, Acetadote, Fluimucil, Mucomyst, Parvolex, Airbron, Mucosil, Brunac, Fabrol, mercapturic acid, L-Acetylcysteine, Fluimucetin, Flumucetin, Mucosolvin, Fluprowit, Lysomucil, Mucofilin

Molecular Formula: C5H9NO3SMolecular Weight: 163.194860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3


• Acetyl Isovaleryl
IUPAC Name: 5-methylhexane-2,3-dione | CAS Registry Number: 13706-86-0
Synonyms: Acetyl isovaleryl, Acetylisopentanoyl, Acetyl isopentanoyl, 5-Methyl-2,3-hexanedione, 2-Methylhexa-4,5-dione, 5-Methylhexane-2,3-dione, FEMA No. 3190, EINECS 237-241-8, 2,3-HEXANEDIONE, 5-METHYL-, BRN 1745751, LS-2931, 4-01-00-03701 (Beilstein Handbook Reference)

Molecular Formula: C7H12O2Molecular Weight: 128.168980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetyl Methyl Carbinol
IUPAC Name: 3-hydroxybutan-2-one | CAS Registry Number: 513-86-0
Synonyms: acetoin, Dimethylketol, 2,3-Butanolone, 3-hydroxy-2-butanone, Acethoin, acetylmethylcarbinol, Acetyl methyl carbinol, Acetoin (natural), 2-Hydroxy-3-butanone, acetylmethyl-, 2-Acetoin, 2-Butanone, 3-hydroxy-, DL-Acetoin, 3-hydroxybutan-2-one, (R)-dimethylketol, Methanol, acetylmethyl-, (R)-acetoin, Butan-2-ol-3-one, 1-Hydroxyethyl methyl ketone, (S)-Acetoin

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


• Acetyl Tributyl Citrate
IUPAC Name: tributyl 2-acetyloxypropane-1,2,3-tricarboxylate | CAS Registry Number: 77-90-7
Synonyms: Citroflex A, Blo-trol, Tributyl acetylcitrate, Citroflex A 4, Tributyl O-acetylcitrate, Tributyl citrate acetate, 2-Acetyltributylcitrate, Tributyl acetyl citrate, ACETYL TRIBUTYL CITRATE, Caswell No. 005AB, Tributyl acetylicitrate, Tributyl 2-acetylcitrate, FEMA No. 3080, CCRIS 3409, HSDB 656, Acetylcitric acid, tributyl ester, W308005_ALDRICH, Citric acid, tributyl ester, acetate, 388378_ALDRICH, NSC 3894

Molecular Formula: C20H34O8Molecular Weight: 402.479160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8


• Acetyl Triethyl Citrate
IUPAC Name: triethyl 2-acetyloxypropane-1,2,3-tricarboxylate | CAS Registry Number: 77-89-4
Synonyms: Citroflex A 2, Acetyl triethyl citrate, ATEC, Triethyl acetylcitrate, Citroflex A-2, Triethyl O-acetylcitrate, Triethyl citrate, acetate, Triethyl citrate acetate, Triethyl 2-acetylcitrate, Citric acid, acetyl triethyl ester, 388351_ALDRICH, O-Acetylcitric acid triethyl ester, NSC 3887, EINECS 201-066-5, NSC3887, BRN 1804947, CITRIC ACID, TRIETHYL ESTER, ACETATE, WLN: 2OV1XVO2&OV1&1VO2, AI3-03574, Triethyl 2-acetoxy-1,2,3-propanetricarboxylate

Molecular Formula: C14H22O8Molecular Weight: 318.319680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8


• Acetylvaleryl
IUPAC Name: heptane-2,3-dione | CAS Registry Number: 96-04-8
Synonyms: Acetyl valeryl, Valerylacetyl, 2,3-HEPTANEDIONE, Acetyl pentanoyl, Benzil-related compound, 47, W254304_ALDRICH, FEMA No. 2543, CID60983, NSC31668, EINECS 202-472-5, NSC 31668, SBB008584, ZINC01663926, FR-2294, InChI=1/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H

Molecular Formula: C7H12O2Molecular Weight: 128.168980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Aconitic Acid
IUPAC Name: prop-1-ene-1,2,3-tricarboxylic acid | CAS Registry Number: 499-12-7
Synonyms: cis-aconitate, Achilleic acid, Equisetic acid, Citridic acid, aconitate, Achilleaic acid, Citridinic acid, Pyrocitric acid, trans-Aconitate, cis-Aconic acid, cis-Aconitic acid, ACONITIC ACID, trans-Aconitic acid, cis-Oxaloacetic acid, Spectrum_001377, SpecPlus_000379, Spectrum2_001788, Spectrum3_001348, Spectrum4_001744, WLN: QV1YVQU1VQ

Molecular Formula: C6H6O6Molecular Weight: 174.108240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6


• Acroleine Diethyl Acetal
IUPAC Name: 3,3-diethoxyprop-1-ene | CAS Registry Number: 3054-95-3
Synonyms: Acrolein acetal, diethoxypropene, Acrolein diethyl acetal, 3,3-Diethoxypropene, Acrolein diethylacetal, Acrolein, diethyl acetal, Propenal diethyl acetal, 3,3-Diethoxy-1-propene, Acrolein, diethylacetal, 1,1-Diethoxy-2-propene, Acrylaldehyde diethyl acetal, 2-Propenal diethyl acetal, 3,3-diethoxyprop-1-ene, 1-PROPENE, 3,3-DIETHOXY-, 3,3-bis(ethyloxy)prop-1-ene, CCRIS 3496, A24001_ALDRICH, Acrolein, diethyl acetal (8CI), EINECS 221-276-0, NSC 60135

Molecular Formula: C7H14O2Molecular Weight: 130.184860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Active Extra Fine Calcium Hydroxide
IUPAC Name: calcium dihydroxide | CAS Registry Number: 1305-62-0
Synonyms: Calcium hydrate, Kalkhydrate, Carboxide, Hydralime, Biocalc, Kemikal, Calbit, Calvit, Limbux, Hydrated lime, Lime hydrate, Super Microstar, Slaked lime, Lime water, Bell mine, CALCIUM HYDROXIDE, Lime milk, Milk of lime, Rhenofit CF, Yukijirushisakanyo

Molecular Formula: CaH2O2Molecular Weight: 74.092680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2


• Adamantane
IUPAC Name: adamantane | CAS Registry Number: 281-23-2
Synonyms: ADAMANTANE, Adamantylidene, Adamantan, Adamantanylidene, Adamantane (8CI), Tricyclo(,7)decane, tricyclo[,7~]decane, Tricyclo[,7)]decane, 100277_ALDRICH, CHEBI:40519, EINECS 206-001-4, CID9238, Tricyclo[,7]decane, NSC 527913, NSC527913, Tricyclo[,7]dec-2-yl, DB03627, Tricyclo(,7))decylidene, LS-157064, ADM

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0


• Adenine
IUPAC Name: 7H-purin-6-amine | CAS Registry Number: 73-24-5
Synonyms: adenine, 6-Aminopurine, Adenin, Adeninimine, 1H-Purin-6-amine, Vitamin B4, Leuco-4, 2-aminopurine, Purine, 6-amino-, 9H-Purin-6-amine, Leucon, 6-Amino-1H-purine, 6-Amino-3H-purine, 6-Amino-7H-purine, 6-Amino-9H-purine, adenine-ring, Pedatisectine B, Adenine [JAN], 1jys, 1nli

Molecular Formula: C5H5N5Molecular Weight: 135.126700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5


• Adenosine-5-Diphosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate | CAS Registry Number: 58-64-0
Synonyms: Adenosine diphosphate, ADP (nucleotide), Adenosine 5'-diphosphate, adenosine pyrophosphate, adenosine-5'-diphosphate, 1amw, 1lkx, 1ucn, 1xxi, 1yrs, 2bfr, H3adp, 5'-Adp, adenosine 5'-pyrophosphate, Formycin diphosphate, Adenosindiphosphorsaeure, 5'-Adenylphosphoric acid, adenosine-diphosphate, Adenosine-5'-diphosphat, a-ADP

Molecular Formula: C10H15N5O10P2Molecular Weight: 427.201122 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 15


• Adenosine-5-Monophosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | CAS Registry Number: 61-19-8
Synonyms: adenylic acid, 5'-adenylic acid, adenylate, Phosphentaside, adenosine phosphate, Adenovite, Cardiomone, Phosphaden, Phosaden, Lycedan, Myoston, Ergadenylic acid, Monophosphadenine, adenosine 5'-phosphate, Adenosine monophosphate, Muskeladenylsaeure, Vitamin B8, AMP (nucleotide), Adenyl, adenosine 5'-monophosphate

Molecular Formula: C10H14N5O7PMolecular Weight: 347.221221 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12


• Adipic Acid
IUPAC Name: hexanedioic acid | CAS Registry Number: 124-04-9
Synonyms: adipic acid, hexanedioic acid, Adipinic acid, adipate, Adilactetten, Acifloctin, Acinetten, Molten adipic acid, Adipinsaeure, Hexanedioate, Kyselina adipova, 1,6-Hexanedioic acid, Adipinsaure [German], 1,4-Butanedicarboxylic acid, nchembio815-comp1a, FEMA Number 2011, Acide adipique [French], Kyselina adipova [Czech], Hexan-1,6-dicarboxylate, WLN: QV4VQ

Molecular Formula: C6H10O4Molecular Weight: 146.141200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4


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