
Carboxylic acids and derivatives















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Vinyl chloroacetate, 99%, stab. with 4-methoxyphenol
CAS: 2549-51-1 Molecular Formula: C4H5ClO2 Molecular Weight (g/mol): 120.532 MDL Number: MFCD00045275 InChI Key: XJELOQYISYPGDX-UHFFFAOYSA-N Synonym: vinyl chloroacetate,acetic acid, chloro-, ethenyl ester,acetic acid, 2-chloro-, ethenyl ester,acetic acid, chloro-, vinyl ester,chloroacetic acid vinyl ester,vinyl chloroacetate polymer,vinyl monochloroacetate,chloroacetic acid vinyl,acetic acid, chloro-, vinyl ester, polymers,acmc-1clv7 PubChem CID: 82156 IUPAC Name: ethenyl 2-chloroacetate SMILES: C=COC(=O)CCl
PubChem CID | 82156 |
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CAS | 2549-51-1 |
Molecular Weight (g/mol) | 120.532 |
MDL Number | MFCD00045275 |
SMILES | C=COC(=O)CCl |
Synonym | vinyl chloroacetate,acetic acid, chloro-, ethenyl ester,acetic acid, 2-chloro-, ethenyl ester,acetic acid, chloro-, vinyl ester,chloroacetic acid vinyl ester,vinyl chloroacetate polymer,vinyl monochloroacetate,chloroacetic acid vinyl,acetic acid, chloro-, vinyl ester, polymers,acmc-1clv7 |
IUPAC Name | ethenyl 2-chloroacetate |
InChI Key | XJELOQYISYPGDX-UHFFFAOYSA-N |
Molecular Formula | C4H5ClO2 |
5,5-Dimethylhydantoin, 97%
CAS: 77-71-4 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00005266 InChI Key: YIROYDNZEPTFOL-UHFFFAOYSA-N Synonym: 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin PubChem CID: 6491 IUPAC Name: 5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C)NC(=O)NC1=O
PubChem CID | 6491 |
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CAS | 77-71-4 |
Molecular Weight (g/mol) | 128.13 |
MDL Number | MFCD00005266 |
SMILES | CC1(C)NC(=O)NC1=O |
Synonym | 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin |
IUPAC Name | 5,5-dimethylimidazolidine-2,4-dione |
InChI Key | YIROYDNZEPTFOL-UHFFFAOYSA-N |
Molecular Formula | C5H8N2O2 |
Diallyl maleate, 95%
CAS: 999-21-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00010763 InChI Key: ZPOLOEWJWXZUSP-WAYWQWQTSA-N Synonym: diallyl fumarate,fumaric acid, diallyl ester,unii-k852lk4c5p,2-butenedioic acid e-, di-2-propenyl ester,2-butenedioic acid 2e-, di-2-propenyl ester,butenedioic acid diallyl ester,1,4-bis prop-2-en-1-yl 2e-but-2-enedioate,2-butenedioic acid 2e-, 1,4-di-2-propen-1-yl ester,diallyl malleate,1,4-bis prop-2-en-1-yl but-2-enedioate PubChem CID: 5354266 IUPAC Name: bis(prop-2-enyl) (Z)-but-2-enedioate SMILES: C=CCOC(=O)C=CC(=O)OCC=C
PubChem CID | 5354266 |
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CAS | 999-21-3 |
Molecular Weight (g/mol) | 196.202 |
MDL Number | MFCD00010763 |
SMILES | C=CCOC(=O)C=CC(=O)OCC=C |
Synonym | diallyl fumarate,fumaric acid, diallyl ester,unii-k852lk4c5p,2-butenedioic acid e-, di-2-propenyl ester,2-butenedioic acid 2e-, di-2-propenyl ester,butenedioic acid diallyl ester,1,4-bis prop-2-en-1-yl 2e-but-2-enedioate,2-butenedioic acid 2e-, 1,4-di-2-propen-1-yl ester,diallyl malleate,1,4-bis prop-2-en-1-yl but-2-enedioate |
IUPAC Name | bis(prop-2-enyl) (Z)-but-2-enedioate |
InChI Key | ZPOLOEWJWXZUSP-WAYWQWQTSA-N |
Molecular Formula | C10H12O4 |
CAS | 5818-06-4 |
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ChEBI | CHEBI:39411 |
MDL Number | MFCD00014759 |
Ethyl tert-butylacetate, 98%
CAS: 5340-78-3 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00026911 InChI Key: JWMNHAMYTBAUPI-UHFFFAOYSA-N Synonym: ethyl tert-butylacetate,ethyl 3,3-dimethylbutyrate,t-c4h9ch2c o och2ch3,3,3-dimethylbutyric acid ethyl ester,jwmnhamytbaupi-uhfffaoysa,tert-butylacetic acid ethyl ester,tert-butylacetic ethyl ester,butanoic acid, 3,3-dimethyl-, ethyl ester PubChem CID: 79284 IUPAC Name: ethyl 3,3-dimethylbutanoate SMILES: CCOC(=O)CC(C)(C)C
PubChem CID | 79284 |
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CAS | 5340-78-3 |
Molecular Weight (g/mol) | 144.214 |
MDL Number | MFCD00026911 |
SMILES | CCOC(=O)CC(C)(C)C |
Synonym | ethyl tert-butylacetate,ethyl 3,3-dimethylbutyrate,t-c4h9ch2c o och2ch3,3,3-dimethylbutyric acid ethyl ester,jwmnhamytbaupi-uhfffaoysa,tert-butylacetic acid ethyl ester,tert-butylacetic ethyl ester,butanoic acid, 3,3-dimethyl-, ethyl ester |
IUPAC Name | ethyl 3,3-dimethylbutanoate |
InChI Key | JWMNHAMYTBAUPI-UHFFFAOYSA-N |
Molecular Formula | C8H16O2 |
Methyl 4-(methylsulfonylmethyl)benzoate, 98%
CAS: 160446-22-0 Molecular Formula: C10H12O4S Molecular Weight (g/mol): 228.262 MDL Number: MFCD00051693 InChI Key: XCKJFFWCTKJUKD-UHFFFAOYSA-N Synonym: methyl 4-methylsulfonylmethyl benzoate,methyl 4-methanesulfonylmethyl benzoate,methyl 4-methylsulfonyl methyl benzoate,benzoic acid, 4-methylsulfonyl methyl-, methyl ester,acmc-20akgt,maybridge1_002811,methyl 4-methanesulphonylmethyl benzoate PubChem CID: 2804364 IUPAC Name: methyl 4-(methylsulfonylmethyl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C
PubChem CID | 2804364 |
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CAS | 160446-22-0 |
Molecular Weight (g/mol) | 228.262 |
MDL Number | MFCD00051693 |
SMILES | COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C |
Synonym | methyl 4-methylsulfonylmethyl benzoate,methyl 4-methanesulfonylmethyl benzoate,methyl 4-methylsulfonyl methyl benzoate,benzoic acid, 4-methylsulfonyl methyl-, methyl ester,acmc-20akgt,maybridge1_002811,methyl 4-methanesulphonylmethyl benzoate |
IUPAC Name | methyl 4-(methylsulfonylmethyl)benzoate |
InChI Key | XCKJFFWCTKJUKD-UHFFFAOYSA-N |
Molecular Formula | C10H12O4S |
Methyl 4-cyanobenzoate, 99%
CAS: 1129-35-7 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00001823 InChI Key: KKZMIDYKRKGJHG-UHFFFAOYSA-N Synonym: 4-cyanobenzoic acid methyl ester,benzoic acid, 4-cyano-, methyl ester,methyl p-cyanobenzoate,unii-f8fms7o8xg,f8fms7o8xg,benzoic acid, p-cyano-, methyl ester,4-cyano-benzoic acid methyl ester,methyl4-cyanobenzoate,methyl-4-cyanobenzoate,acmc-1bs5i PubChem CID: 70791 IUPAC Name: methyl 4-cyanobenzoate SMILES: COC(=O)C1=CC=C(C=C1)C#N
PubChem CID | 70791 |
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CAS | 1129-35-7 |
Molecular Weight (g/mol) | 161.16 |
MDL Number | MFCD00001823 |
SMILES | COC(=O)C1=CC=C(C=C1)C#N |
Synonym | 4-cyanobenzoic acid methyl ester,benzoic acid, 4-cyano-, methyl ester,methyl p-cyanobenzoate,unii-f8fms7o8xg,f8fms7o8xg,benzoic acid, p-cyano-, methyl ester,4-cyano-benzoic acid methyl ester,methyl4-cyanobenzoate,methyl-4-cyanobenzoate,acmc-1bs5i |
IUPAC Name | methyl 4-cyanobenzoate |
InChI Key | KKZMIDYKRKGJHG-UHFFFAOYSA-N |
Molecular Formula | C9H7NO2 |
5,6-Dihydrouracil, 97%
CAS: 504-07-4 Molecular Formula: C4H6N2O2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00006029 InChI Key: OIVLITBTBDPEFK-UHFFFAOYSA-N Synonym: dihydrouracil,5,6-dihydrouracil,hydrouracil,5,6-dihydro-2,4-dihydroxypyrimidine,dihydropyrimidine-2,4 1h,3h-dione,dihydrouracile,2,4 1h,3h-pyrimidinedione, dihydro,di-h-uracil,dihydro-2,4 1h,3h-pyrimidinedione,hydrouracil 8ci PubChem CID: 649 ChEBI: CHEBI:15901 IUPAC Name: 1,3-diazinane-2,4-dione SMILES: O=C1CCNC(=O)N1
PubChem CID | 649 |
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CAS | 504-07-4 |
Molecular Weight (g/mol) | 114.10 |
ChEBI | CHEBI:15901 |
MDL Number | MFCD00006029 |
SMILES | O=C1CCNC(=O)N1 |
Synonym | dihydrouracil,5,6-dihydrouracil,hydrouracil,5,6-dihydro-2,4-dihydroxypyrimidine,dihydropyrimidine-2,4 1h,3h-dione,dihydrouracile,2,4 1h,3h-pyrimidinedione, dihydro,di-h-uracil,dihydro-2,4 1h,3h-pyrimidinedione,hydrouracil 8ci |
IUPAC Name | 1,3-diazinane-2,4-dione |
InChI Key | OIVLITBTBDPEFK-UHFFFAOYSA-N |
Molecular Formula | C4H6N2O2 |
Diethyl maleate, 97%
CAS: 141-05-9 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00009191 InChI Key: IEPRKVQEAMIZSS-WAYWQWQTSA-N Synonym: diethyl maleate,ethyl maleate,maleic acid, diethyl ester,diethylmaleate,maleic acid diethyl ester,2-butenedioic acid z-, diethyl ester,diethyl z-but-2-enedioate,diethyl 2z-but-2-enedioate,unii-g81wqb56ol,ccris 941 PubChem CID: 5271566 ChEBI: CHEBI:68508 IUPAC Name: diethyl (Z)-but-2-enedioate SMILES: CCOC(=O)C=CC(=O)OCC
PubChem CID | 5271566 |
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CAS | 141-05-9 |
Molecular Weight (g/mol) | 172.18 |
ChEBI | CHEBI:68508 |
MDL Number | MFCD00009191 |
SMILES | CCOC(=O)C=CC(=O)OCC |
Synonym | diethyl maleate,ethyl maleate,maleic acid, diethyl ester,diethylmaleate,maleic acid diethyl ester,2-butenedioic acid z-, diethyl ester,diethyl z-but-2-enedioate,diethyl 2z-but-2-enedioate,unii-g81wqb56ol,ccris 941 |
IUPAC Name | diethyl (Z)-but-2-enedioate |
InChI Key | IEPRKVQEAMIZSS-WAYWQWQTSA-N |
Molecular Formula | C8H12O4 |
Methyl 3-phenylpropionate, 98%
CAS: 103-25-3 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00017209 InChI Key: RPUSRLKKXPQSGP-UHFFFAOYSA-N Synonym: methyl 3-phenylpropionate,methyl hydrocinnamate,benzenepropanoic acid, methyl ester,3-phenylpropionic acid methyl ester,methyl benzenepropanoate,hydrocinnamic acid, methyl ester,methyl dihydrocinnamate,methyl beta-phenylpropionate,methyl b-phenylpropionate,unii-111lc1gi10 PubChem CID: 7643 IUPAC Name: methyl 3-phenylpropanoate SMILES: COC(=O)CCC1=CC=CC=C1
PubChem CID | 7643 |
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CAS | 103-25-3 |
Molecular Weight (g/mol) | 164.204 |
MDL Number | MFCD00017209 |
SMILES | COC(=O)CCC1=CC=CC=C1 |
Synonym | methyl 3-phenylpropionate,methyl hydrocinnamate,benzenepropanoic acid, methyl ester,3-phenylpropionic acid methyl ester,methyl benzenepropanoate,hydrocinnamic acid, methyl ester,methyl dihydrocinnamate,methyl beta-phenylpropionate,methyl b-phenylpropionate,unii-111lc1gi10 |
IUPAC Name | methyl 3-phenylpropanoate |
InChI Key | RPUSRLKKXPQSGP-UHFFFAOYSA-N |
Molecular Formula | C10H12O2 |
N,N-Dimethylbutyramide, 98%
CAS: 760-79-2 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00015222 InChI Key: VIJUZNJJLALGNJ-UHFFFAOYSA-N Synonym: n,n-dimethylbutyramide,butanamide, n,n-dimethyl,n,n-dimethyl-n-butyramide,nn-dimethylbutyramide,butyramide, n,n-dimethyl,butanamide,n-dimethyl,butanamide,n,n-dimethyl,butanoic acid dimethylamide,nn-dimethylbutyramide, pract.,wln: 3vn1&1 PubChem CID: 12973 IUPAC Name: N,N-dimethylbutanamide SMILES: CCCC(=O)N(C)C
PubChem CID | 12973 |
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CAS | 760-79-2 |
Molecular Weight (g/mol) | 115.176 |
MDL Number | MFCD00015222 |
SMILES | CCCC(=O)N(C)C |
Synonym | n,n-dimethylbutyramide,butanamide, n,n-dimethyl,n,n-dimethyl-n-butyramide,nn-dimethylbutyramide,butyramide, n,n-dimethyl,butanamide,n-dimethyl,butanamide,n,n-dimethyl,butanoic acid dimethylamide,nn-dimethylbutyramide, pract.,wln: 3vn1&1 |
IUPAC Name | N,N-dimethylbutanamide |
InChI Key | VIJUZNJJLALGNJ-UHFFFAOYSA-N |
Molecular Formula | C6H13NO |
Methyl cyclopentanecarboxylate, 97%
CAS: 4630-80-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00019290 InChI Key: IIHIJFJSXPDTNO-UHFFFAOYSA-N Synonym: cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl PubChem CID: 78365 IUPAC Name: methyl cyclopentanecarboxylate SMILES: COC(=O)C1CCCC1
PubChem CID | 78365 |
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CAS | 4630-80-2 |
Molecular Weight (g/mol) | 128.17 |
MDL Number | MFCD00019290 |
SMILES | COC(=O)C1CCCC1 |
Synonym | cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl |
IUPAC Name | methyl cyclopentanecarboxylate |
InChI Key | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
Molecular Formula | C7H12O2 |
Cyclohexyl methacrylate, 97%, stab. with ca 50ppm 4-methoxyphenol, Thermo Scientific Chemicals
CAS: 101-43-9 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00014292 InChI Key: OIWOHHBRDFKZNC-UHFFFAOYSA-N Synonym: cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate PubChem CID: 7561 IUPAC Name: cyclohexyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1CCCCC1
PubChem CID | 7561 |
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CAS | 101-43-9 |
Molecular Weight (g/mol) | 168.24 |
MDL Number | MFCD00014292 |
SMILES | CC(=C)C(=O)OC1CCCCC1 |
Synonym | cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate |
IUPAC Name | cyclohexyl 2-methylprop-2-enoate |
InChI Key | OIWOHHBRDFKZNC-UHFFFAOYSA-N |
Molecular Formula | C10H16O2 |
Tamoxifen citrate
CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N Synonym: tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen PubChem CID: 2733525 ChEBI: CHEBI:9397 IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
PubChem CID | 2733525 |
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CAS | 54965-24-1 |
Molecular Weight (g/mol) | 563.65 |
ChEBI | CHEBI:9397 |
MDL Number | MFCD00058321 |
SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
Synonym | tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen |
IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid |
InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
Molecular Formula | C32H37NO8 |
N-Decanoyl-N-methyl-D-glucamine
CAS: 85261-20-7 Molecular Formula: C17H35NO6 Molecular Weight (g/mol): 349.468 MDL Number: MFCD00036801 InChI Key: UMWKZHPREXJQGR-XOSAIJSUSA-N Synonym: n-oxodecyl meglumine,unii-9q27za5m8g,n-methyl-n-2s,3r,4r,5r-2,3,4,5,6-pentahydroxyhexyl decanamide,decanoyl n-methylglucamide,decanoylmethylglucamine,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino-, stereoisomer PubChem CID: 174432 IUPAC Name: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide SMILES: CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
PubChem CID | 174432 |
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CAS | 85261-20-7 |
Molecular Weight (g/mol) | 349.468 |
MDL Number | MFCD00036801 |
SMILES | CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O |
Synonym | n-oxodecyl meglumine,unii-9q27za5m8g,n-methyl-n-2s,3r,4r,5r-2,3,4,5,6-pentahydroxyhexyl decanamide,decanoyl n-methylglucamide,decanoylmethylglucamine,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino-, stereoisomer |
IUPAC Name | N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide |
InChI Key | UMWKZHPREXJQGR-XOSAIJSUSA-N |
Molecular Formula | C17H35NO6 |