Carboxylic acids and derivatives
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n-Propyl Acetate, 99%, Spectrum™ Chemical
CAS: 109-60-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 InChI Key: YKYONYBAUNKHLG-UHFFFAOYSA-N IUPAC Name: propyl acetate SMILES: CCCOC(C)=O
| CAS | 109-60-4 |
|---|---|
| Molecular Weight (g/mol) | 102.13 |
| SMILES | CCCOC(C)=O |
| IUPAC Name | propyl acetate |
| InChI Key | YKYONYBAUNKHLG-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
3-Noradamantanecarboxylic acid, 98%
CAS: 16200-53-6 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00213463 InChI Key: RXUUYFUQAGICCD-NLZKFAMNSA-N Synonym: 3-noradamantanecarboxylic acid,3-noradamantane carboxylic acid,octahydro-2,5-methanopentalene-3a-carboxylic acid,2,5-methanopentalene-3a 1h-carboxylic acid, hexahydro,3-noradamantancarboxylic acid,3-noradamantanecarboxylicacid,rxuuyfuqagiccd-uhfffaoysa,3-noradamantanecarboxylate nac,hexahydro-2,5-methano-pentalene-3a-carboxylic acid,tricyclo 3.3.1.0<3,7> nonane-3-carboxylic acid PubChem CID: 11887834 SMILES: C1C2CC3CC1CC3(C2)C(=O)O
| PubChem CID | 11887834 |
|---|---|
| CAS | 16200-53-6 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00213463 |
| SMILES | C1C2CC3CC1CC3(C2)C(=O)O |
| Synonym | 3-noradamantanecarboxylic acid,3-noradamantane carboxylic acid,octahydro-2,5-methanopentalene-3a-carboxylic acid,2,5-methanopentalene-3a 1h-carboxylic acid, hexahydro,3-noradamantancarboxylic acid,3-noradamantanecarboxylicacid,rxuuyfuqagiccd-uhfffaoysa,3-noradamantanecarboxylate nac,hexahydro-2,5-methano-pentalene-3a-carboxylic acid,tricyclo 3.3.1.0<3,7> nonane-3-carboxylic acid |
| InChI Key | RXUUYFUQAGICCD-NLZKFAMNSA-N |
| Molecular Formula | C10H14O2 |
3-(4-Formylphenyl)propionic acid, 96%
CAS: 34961-64-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD08234824 InChI Key: NRCCSDVEUWXOMG-UHFFFAOYSA-N Synonym: 3-4-formylphenyl propanoic acid,3-4-formylphenyl propionic acid,3-4-formyl-phenyl-propionic acid,3-4-formylphenyl-propionic acid,4-formyldihydrocinnamic acid,4-formylbenzenepropanoic acid,benzenepropanoic acid,4-formyl,3-4-formylphenyl propanoicacid PubChem CID: 19825241 IUPAC Name: 3-(4-formylphenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=O)C=C1
| PubChem CID | 19825241 |
|---|---|
| CAS | 34961-64-3 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD08234824 |
| SMILES | OC(=O)CCC1=CC=C(C=O)C=C1 |
| Synonym | 3-4-formylphenyl propanoic acid,3-4-formylphenyl propionic acid,3-4-formyl-phenyl-propionic acid,3-4-formylphenyl-propionic acid,4-formyldihydrocinnamic acid,4-formylbenzenepropanoic acid,benzenepropanoic acid,4-formyl,3-4-formylphenyl propanoicacid |
| IUPAC Name | 3-(4-formylphenyl)propanoic acid |
| InChI Key | NRCCSDVEUWXOMG-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
Ethyl cyanoformate, 99%
CAS: 623-49-4 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001836 InChI Key: MSMGXWFHBSCQFB-UHFFFAOYSA-N Synonym: carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate PubChem CID: 69336 IUPAC Name: ethyl cyanoformate SMILES: CCOC(=O)C#N
| PubChem CID | 69336 |
|---|---|
| CAS | 623-49-4 |
| Molecular Weight (g/mol) | 99.09 |
| MDL Number | MFCD00001836 |
| SMILES | CCOC(=O)C#N |
| Synonym | carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate |
| IUPAC Name | ethyl cyanoformate |
| InChI Key | MSMGXWFHBSCQFB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |
Ethyl 5-n-propyl-1H-pyrazole-3-carboxylate, 98%
CAS: 92945-27-2 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.223 MDL Number: MFCD02093950 InChI Key: SUALHSUMUQQLJP-UHFFFAOYSA-N Synonym: ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester PubChem CID: 7365260 IUPAC Name: ethyl 5-propyl-1H-pyrazole-3-carboxylate SMILES: CCCC1=CC(=NN1)C(=O)OCC
| PubChem CID | 7365260 |
|---|---|
| CAS | 92945-27-2 |
| Molecular Weight (g/mol) | 182.223 |
| MDL Number | MFCD02093950 |
| SMILES | CCCC1=CC(=NN1)C(=O)OCC |
| Synonym | ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester |
| IUPAC Name | ethyl 5-propyl-1H-pyrazole-3-carboxylate |
| InChI Key | SUALHSUMUQQLJP-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2O2 |
n-Butyl acetate, 99+%, for spectroscopy
CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| PubChem CID | 31272 |
|---|---|
| CAS | 123-86-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:31328 |
| MDL Number | MFCD00009445 |
| SMILES | CCCCOC(C)=O |
| Synonym | n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1H-Indene-3-carboxylic acid, 97%
CAS: 5020-21-3 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00086207 InChI Key: NZSCUDBGUBVDLO-UHFFFAOYSA-N Synonym: 1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid PubChem CID: 84261 IUPAC Name: 3H-indene-1-carboxylic acid SMILES: C1C=C(C2=CC=CC=C21)C(=O)O
| PubChem CID | 84261 |
|---|---|
| CAS | 5020-21-3 |
| Molecular Weight (g/mol) | 160.172 |
| MDL Number | MFCD00086207 |
| SMILES | C1C=C(C2=CC=CC=C21)C(=O)O |
| Synonym | 1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid |
| IUPAC Name | 3H-indene-1-carboxylic acid |
| InChI Key | NZSCUDBGUBVDLO-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
m-Tolylacetic acid, 97%
CAS: 621-36-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004340 InChI Key: GJMPSRSMBJLKKB-UHFFFAOYSA-N Synonym: 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate PubChem CID: 12121 IUPAC Name: 2-(3-methylphenyl)acetic acid SMILES: CC1=CC=CC(CC(O)=O)=C1
| PubChem CID | 12121 |
|---|---|
| CAS | 621-36-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00004340 |
| SMILES | CC1=CC=CC(CC(O)=O)=C1 |
| Synonym | 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate |
| IUPAC Name | 2-(3-methylphenyl)acetic acid |
| InChI Key | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
| PubChem CID | 587721 |
|---|---|
| CAS | 5744-56-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00159636 |
| SMILES | CN1N=C(C)C=C1C(O)=O |
| Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
| IUPAC Name | 2,5-dimethylpyrazole-3-carboxylic acid |
| InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
cis-3-Hexenyl acetate, 98+%
CAS: 3681-71-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00036563 InChI Key: NPFVOOAXDOBMCE-PLNGDYQASA-N Synonym: cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate PubChem CID: 5363388 ChEBI: CHEBI:61316 IUPAC Name: [(Z)-hex-3-enyl] acetate SMILES: CCC=CCCOC(=O)C
| PubChem CID | 5363388 |
|---|---|
| CAS | 3681-71-8 |
| Molecular Weight (g/mol) | 142.198 |
| ChEBI | CHEBI:61316 |
| MDL Number | MFCD00036563 |
| SMILES | CCC=CCCOC(=O)C |
| Synonym | cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate |
| IUPAC Name | [(Z)-hex-3-enyl] acetate |
| InChI Key | NPFVOOAXDOBMCE-PLNGDYQASA-N |
| Molecular Formula | C8H14O2 |
Ethyl valerate, 99%
CAS: 539-82-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009479 InChI Key: ICMAFTSLXCXHRK-UHFFFAOYSA-N Synonym: ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 PubChem CID: 10882 IUPAC Name: ethyl pentanoate SMILES: CCCCC(=O)OCC
| PubChem CID | 10882 |
|---|---|
| CAS | 539-82-2 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00009479 |
| SMILES | CCCCC(=O)OCC |
| Synonym | ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 |
| IUPAC Name | ethyl pentanoate |
| InChI Key | ICMAFTSLXCXHRK-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Ethyl indole-2-carboxylate, 98+%
CAS: 3770-50-1 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005609 InChI Key: QQXQAEWRSVZPJM-UHFFFAOYSA-N Synonym: ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole PubChem CID: 73125 IUPAC Name: ethyl 1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 73125 |
|---|---|
| CAS | 3770-50-1 |
| Molecular Weight (g/mol) | 189.21 |
| MDL Number | MFCD00005609 |
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole |
| IUPAC Name | ethyl 1H-indole-2-carboxylate |
| InChI Key | QQXQAEWRSVZPJM-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
Methyl formate, 97%, may cont. up to ca 3% methanol
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
3-Indoxyl acetate, 97%
CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21
| PubChem CID | 11841 |
|---|---|
| CAS | 608-08-2 |
| Molecular Weight (g/mol) | 175.187 |
| MDL Number | MFCD00014561 |
| SMILES | CC(=O)OC1=CNC2=CC=CC=C21 |
| Synonym | 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester |
| IUPAC Name | 1H-indol-3-yl acetate |
| InChI Key | JBOPQACSHPPKEP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Ethyl 3-pyridineacetate, 99%
CAS: 39931-77-6 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00006411 InChI Key: RPWXYCRIAGBAGY-UHFFFAOYSA-N Synonym: ethyl 3-pyridylacetate,ethyl 2-pyridin-3-yl acetate,ethyl 3-pyridineacetate,3-pyridineacetic acid, ethyl ester,acetic acid, 2-3-pyridyl-, ethyl ester,pyridin-3-yl-acetic acid ethyl ester,3-pyridylacetic acid ethyl ester,ethyl 2-3-pyridyl acetate,pubchem20506,ethyl-3-pyridyl-acetate PubChem CID: 96490 IUPAC Name: ethyl 2-pyridin-3-ylacetate SMILES: CCOC(=O)CC1=CN=CC=C1
| PubChem CID | 96490 |
|---|---|
| CAS | 39931-77-6 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00006411 |
| SMILES | CCOC(=O)CC1=CN=CC=C1 |
| Synonym | ethyl 3-pyridylacetate,ethyl 2-pyridin-3-yl acetate,ethyl 3-pyridineacetate,3-pyridineacetic acid, ethyl ester,acetic acid, 2-3-pyridyl-, ethyl ester,pyridin-3-yl-acetic acid ethyl ester,3-pyridylacetic acid ethyl ester,ethyl 2-3-pyridyl acetate,pubchem20506,ethyl-3-pyridyl-acetate |
| IUPAC Name | ethyl 2-pyridin-3-ylacetate |
| InChI Key | RPWXYCRIAGBAGY-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |