Organic acids and derivatives
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Benzyl acetate, 99%
CAS: 140-11-4 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008712 InChI Key: QUKGYYKBILRGFE-UHFFFAOYSA-N Synonym: acetic acid benzyl ester,benzyl ethanoate,acetic acid, phenylmethyl ester,phenylmethyl acetate,acetic acid, benzyl ester,alpha-acetoxytoluene,phenylmethyl ethanoate,acetoxymethyl benzene,benzylester kyseliny octove,caswell no. 081ea PubChem CID: 8785 ChEBI: CHEBI:52051 IUPAC Name: benzyl acetate SMILES: CC(=O)OCC1=CC=CC=C1
| PubChem CID | 8785 |
|---|---|
| CAS | 140-11-4 |
| Molecular Weight (g/mol) | 150.177 |
| ChEBI | CHEBI:52051 |
| MDL Number | MFCD00008712 |
| SMILES | CC(=O)OCC1=CC=CC=C1 |
| Synonym | acetic acid benzyl ester,benzyl ethanoate,acetic acid, phenylmethyl ester,phenylmethyl acetate,acetic acid, benzyl ester,alpha-acetoxytoluene,phenylmethyl ethanoate,acetoxymethyl benzene,benzylester kyseliny octove,caswell no. 081ea |
| IUPAC Name | benzyl acetate |
| InChI Key | QUKGYYKBILRGFE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Ethyl cyanoacetate, 98+%
CAS: 105-56-6 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00001940 InChI Key: ZIUSEGSNTOUIPT-UHFFFAOYSA-N Synonym: ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate PubChem CID: 7764 IUPAC Name: ethyl 2-cyanoacetate SMILES: CCOC(=O)CC#N
| PubChem CID | 7764 |
|---|---|
| CAS | 105-56-6 |
| Molecular Weight (g/mol) | 113.12 |
| MDL Number | MFCD00001940 |
| SMILES | CCOC(=O)CC#N |
| Synonym | ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate |
| IUPAC Name | ethyl 2-cyanoacetate |
| InChI Key | ZIUSEGSNTOUIPT-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
2-Methyl-2h-indazole-3-carboxylic acid, 97%, Thermo Scientific™
CAS: 34252-44-3 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 InChI Key: ABRISPFTOZIXMP-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-3-carboxylic acid,2h-indazole-3-carboxylic acid, 2-methyl PubChem CID: 7060537 IUPAC Name: 2-methylindazole-3-carboxylic acid SMILES: CN1C(=C2C=CC=CC2=N1)C(=O)O
| PubChem CID | 7060537 |
|---|---|
| CAS | 34252-44-3 |
| Molecular Weight (g/mol) | 176.175 |
| SMILES | CN1C(=C2C=CC=CC2=N1)C(=O)O |
| Synonym | 2-methyl-2h-indazole-3-carboxylic acid,2h-indazole-3-carboxylic acid, 2-methyl |
| IUPAC Name | 2-methylindazole-3-carboxylic acid |
| InChI Key | ABRISPFTOZIXMP-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
Cyclopentanecarboxylic Acid, 98+%
CAS: 3400-45-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00001371 InChI Key: JBDSSBMEKXHSJF-UHFFFAOYSA-N Synonym: cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g PubChem CID: 18840 IUPAC Name: cyclopentanecarboxylic acid SMILES: C1CCC(C1)C(=O)O
| PubChem CID | 18840 |
|---|---|
| CAS | 3400-45-1 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00001371 |
| SMILES | C1CCC(C1)C(=O)O |
| Synonym | cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g |
| IUPAC Name | cyclopentanecarboxylic acid |
| InChI Key | JBDSSBMEKXHSJF-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Ethyl butyrate, 99%
CAS: 105-54-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009394 InChI Key: OBNCKNCVKJNDBV-UHFFFAOYSA-N Synonym: ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427 PubChem CID: 7762 IUPAC Name: ethyl butanoate SMILES: CCCC(=O)OCC
| PubChem CID | 7762 |
|---|---|
| CAS | 105-54-4 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009394 |
| SMILES | CCCC(=O)OCC |
| Synonym | ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427 |
| IUPAC Name | ethyl butanoate |
| InChI Key | OBNCKNCVKJNDBV-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
3-(2-Methylphenyl)propionic acid, 96%
CAS: 22084-89-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00079773 InChI Key: JIRKNEAMPYVPTD-UHFFFAOYSA-N PubChem CID: 30938 IUPAC Name: 3-(2-methylphenyl)propanoic acid SMILES: CC1=CC=CC=C1CCC(=O)O
| PubChem CID | 30938 |
|---|---|
| CAS | 22084-89-5 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00079773 |
| SMILES | CC1=CC=CC=C1CCC(=O)O |
| IUPAC Name | 3-(2-methylphenyl)propanoic acid |
| InChI Key | JIRKNEAMPYVPTD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
o-Tolylacetic acid, 99%
CAS: 644-36-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00004328 InChI Key: RZWGTXHSYZGXKF-UHFFFAOYSA-N Synonym: o-tolylacetic acid,2-methylphenylacetic acid,2-methylphenyl acetic acid,2-2-methylphenyl acetic acid,2-o-tolyl acetic acid,2-tolylacetic acid,2-o-tolylacetic acid,o-methylphenylacetic acid,o-tolyacetic acid PubChem CID: 69519 IUPAC Name: 2-(2-methylphenyl)acetic acid SMILES: CC1=CC=CC=C1CC(=O)O
| PubChem CID | 69519 |
|---|---|
| CAS | 644-36-0 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00004328 |
| SMILES | CC1=CC=CC=C1CC(=O)O |
| Synonym | o-tolylacetic acid,2-methylphenylacetic acid,2-methylphenyl acetic acid,2-2-methylphenyl acetic acid,2-o-tolyl acetic acid,2-tolylacetic acid,2-o-tolylacetic acid,o-methylphenylacetic acid,o-tolyacetic acid |
| IUPAC Name | 2-(2-methylphenyl)acetic acid |
| InChI Key | RZWGTXHSYZGXKF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2-(3-Pyridyl)benzimidazole-6-carboxylic acid, 97%
CAS: 312496-16-5 Molecular Formula: C13H9N3O2 Molecular Weight (g/mol): 239.234 MDL Number: MFCD01414693 InChI Key: DHRPCXYIVJXXJR-UHFFFAOYSA-N Synonym: 1h-benzimidazole-6-carboxylicacid, 2-3-pyridinyl,2-pyridin-3-yl-3h-1,3-benzodiazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzoimidazole-5-carboxylic acid,2-3-pyridyl benzimidazole-6-carboxylic acid,6-carboxy-2-pyridin-3-yl-1h-benzimidazole,2-pyridin-3-yl-1h-benzoimidazole-5-carboxylic acid,2-3-pyridinyl-1h-benzoimidazole-5-carboxylic acid,2-pyridin-3-yl-1h-benzimidazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzimidazole-5-carboxylic acid PubChem CID: 2771805 IUPAC Name: 2-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid SMILES: C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O
| PubChem CID | 2771805 |
|---|---|
| CAS | 312496-16-5 |
| Molecular Weight (g/mol) | 239.234 |
| MDL Number | MFCD01414693 |
| SMILES | C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O |
| Synonym | 1h-benzimidazole-6-carboxylicacid, 2-3-pyridinyl,2-pyridin-3-yl-3h-1,3-benzodiazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzoimidazole-5-carboxylic acid,2-3-pyridyl benzimidazole-6-carboxylic acid,6-carboxy-2-pyridin-3-yl-1h-benzimidazole,2-pyridin-3-yl-1h-benzoimidazole-5-carboxylic acid,2-3-pyridinyl-1h-benzoimidazole-5-carboxylic acid,2-pyridin-3-yl-1h-benzimidazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzimidazole-5-carboxylic acid |
| IUPAC Name | 2-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid |
| InChI Key | DHRPCXYIVJXXJR-UHFFFAOYSA-N |
| Molecular Formula | C13H9N3O2 |
Trimethylacetic acid, 99%
CAS: 75-98-9 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004194 InChI Key: IUGYQRQAERSCNH-UHFFFAOYSA-N Synonym: pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid PubChem CID: 6417 ChEBI: CHEBI:45133 IUPAC Name: 2,2-dimethylpropanoic acid SMILES: CC(C)(C)C(=O)O
| PubChem CID | 6417 |
|---|---|
| CAS | 75-98-9 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:45133 |
| MDL Number | MFCD00004194 |
| SMILES | CC(C)(C)C(=O)O |
| Synonym | pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid |
| IUPAC Name | 2,2-dimethylpropanoic acid |
| InChI Key | IUGYQRQAERSCNH-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
1-Naphthyl butyrate, 98%
CAS: 3121-70-8 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00003923 InChI Key: XIVJNRXPRQKFRZ-UHFFFAOYSA-N Synonym: 1-naphthyl butyrate,.alpha.-naphthyl butyrate,alpha-naphthyl butyrate,naphthalen-1-yl butyrate,butanoic acid, 1-naphthalenyl ester,butyric acid, 1-naphthyl ester,1-naphthylbutyrate,unii-9uzl9u0cik,butyric acid 1-naphthyl ester,9uzl9u0cik PubChem CID: 76571 IUPAC Name: naphthalen-1-yl butanoate SMILES: CCCC(=O)OC1=CC=CC2=CC=CC=C21
| PubChem CID | 76571 |
|---|---|
| CAS | 3121-70-8 |
| Molecular Weight (g/mol) | 214.26 |
| MDL Number | MFCD00003923 |
| SMILES | CCCC(=O)OC1=CC=CC2=CC=CC=C21 |
| Synonym | 1-naphthyl butyrate,.alpha.-naphthyl butyrate,alpha-naphthyl butyrate,naphthalen-1-yl butyrate,butanoic acid, 1-naphthalenyl ester,butyric acid, 1-naphthyl ester,1-naphthylbutyrate,unii-9uzl9u0cik,butyric acid 1-naphthyl ester,9uzl9u0cik |
| IUPAC Name | naphthalen-1-yl butanoate |
| InChI Key | XIVJNRXPRQKFRZ-UHFFFAOYSA-N |
| Molecular Formula | C14H14O2 |
Ethyl 2-pyridineacetate, 98%
CAS: 2739-98-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00006359 InChI Key: IUDKTVXSXWAKJO-UHFFFAOYSA-N Synonym: ethyl 2-pyridylacetate,ethyl 2-pyridin-2-yl acetate,ethyl 2-pyridinylacetate,ethyl pyridine-2-acetate,2-pyridineacetic acid ethyl ester,ethyl 2-pyridineacetate,ethyl 2-2-pyridyl acetate,2-pyridylacetic acid ethyl ester,ethyl pyridin-2-ylacetate,2-pyridineacetic acid, ethyl ester PubChem CID: 75960 IUPAC Name: ethyl 2-pyridin-2-ylacetate SMILES: CCOC(=O)CC1=CC=CC=N1
| PubChem CID | 75960 |
|---|---|
| CAS | 2739-98-2 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00006359 |
| SMILES | CCOC(=O)CC1=CC=CC=N1 |
| Synonym | ethyl 2-pyridylacetate,ethyl 2-pyridin-2-yl acetate,ethyl 2-pyridinylacetate,ethyl pyridine-2-acetate,2-pyridineacetic acid ethyl ester,ethyl 2-pyridineacetate,ethyl 2-2-pyridyl acetate,2-pyridylacetic acid ethyl ester,ethyl pyridin-2-ylacetate,2-pyridineacetic acid, ethyl ester |
| IUPAC Name | ethyl 2-pyridin-2-ylacetate |
| InChI Key | IUDKTVXSXWAKJO-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
4-Cyanophenylacetic acid, 97%
CAS: 5462-71-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD06798066 InChI Key: WEBXRQONNWEETE-UHFFFAOYSA-N Synonym: 2-4-cyanophenyl acetic acid,4-cyanophenylacetic acid,4-cyanophenyl acetic acid,benzeneacetic acid, 4-cyano,4-cyano-phenyl-acetic acid,p-cyanophenylacetic acid,4-cyanobenzeneacetic acid,p-cyanophenyl acetic acid,acetic acid, p-cyanophenyl PubChem CID: 79587 IUPAC Name: 2-(4-cyanophenyl)acetic acid SMILES: OC(=O)CC1=CC=C(C=C1)C#N
| PubChem CID | 79587 |
|---|---|
| CAS | 5462-71-5 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD06798066 |
| SMILES | OC(=O)CC1=CC=C(C=C1)C#N |
| Synonym | 2-4-cyanophenyl acetic acid,4-cyanophenylacetic acid,4-cyanophenyl acetic acid,benzeneacetic acid, 4-cyano,4-cyano-phenyl-acetic acid,p-cyanophenylacetic acid,4-cyanobenzeneacetic acid,p-cyanophenyl acetic acid,acetic acid, p-cyanophenyl |
| IUPAC Name | 2-(4-cyanophenyl)acetic acid |
| InChI Key | WEBXRQONNWEETE-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Ethyl thiophene-2-carboxylate, 98+%
CAS: 2810-04-0 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00005436 InChI Key: JZGZKRJVTIRPOK-UHFFFAOYSA-N PubChem CID: 76052 IUPAC Name: ethyl thiophene-2-carboxylate SMILES: CCOC(=O)C1=CC=CS1
| PubChem CID | 76052 |
|---|---|
| CAS | 2810-04-0 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00005436 |
| SMILES | CCOC(=O)C1=CC=CS1 |
| IUPAC Name | ethyl thiophene-2-carboxylate |
| InChI Key | JZGZKRJVTIRPOK-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
3-(2-Methoxyphenyl)propionic acid, 98+%
CAS: 6342-77-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002772 InChI Key: XSZSNLOPIWWFHS-UHFFFAOYSA-N Synonym: 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611 PubChem CID: 80652 IUPAC Name: 3-(2-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC=C1CCC(=O)O
| PubChem CID | 80652 |
|---|---|
| CAS | 6342-77-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00002772 |
| SMILES | COC1=CC=CC=C1CCC(=O)O |
| Synonym | 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611 |
| IUPAC Name | 3-(2-methoxyphenyl)propanoic acid |
| InChI Key | XSZSNLOPIWWFHS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
(-)-Epigallocatechin Gallate, Spectrum™ Chemical
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