Carboxylic acids and derivatives
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3-Methyl-1-phenylindolin-2-one, 97%
CAS: 23210-22-2 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 MDL Number: MFCD00798609 InChI Key: DJKASMOURATDIE-UHFFFAOYSA-N Synonym: 3-methyl-1-phenylindolin-2-one,3-methyl-1-phenylindoline-2-one,3-methyl-1-phenyl-2,3-dihydro-1h-indol-2-one,acmc-1ciq4,1-phenyl-3-methylindoline-2-one,3-methyl-1-phenyl-1,3-dihydro-2h-indol-2-one,2h-indol-2-one,1,3-dihydro-3-methyl-1-phenyl PubChem CID: 4990835 IUPAC Name: 3-methyl-1-phenyl-3H-indol-2-one SMILES: CC1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3
| PubChem CID | 4990835 |
|---|---|
| CAS | 23210-22-2 |
| Molecular Weight (g/mol) | 223.275 |
| MDL Number | MFCD00798609 |
| SMILES | CC1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3 |
| Synonym | 3-methyl-1-phenylindolin-2-one,3-methyl-1-phenylindoline-2-one,3-methyl-1-phenyl-2,3-dihydro-1h-indol-2-one,acmc-1ciq4,1-phenyl-3-methylindoline-2-one,3-methyl-1-phenyl-1,3-dihydro-2h-indol-2-one,2h-indol-2-one,1,3-dihydro-3-methyl-1-phenyl |
| IUPAC Name | 3-methyl-1-phenyl-3H-indol-2-one |
| InChI Key | DJKASMOURATDIE-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
n-Butyl dodecanoate, 99+%
CAS: 106-18-3 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00042870 InChI Key: NDKYEUQMPZIGFN-UHFFFAOYSA-N Synonym: butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate PubChem CID: 61015 IUPAC Name: butyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCCCC
| PubChem CID | 61015 |
|---|---|
| CAS | 106-18-3 |
| Molecular Weight (g/mol) | 256.43 |
| MDL Number | MFCD00042870 |
| SMILES | CCCCCCCCCCCC(=O)OCCCC |
| Synonym | butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate |
| IUPAC Name | butyl dodecanoate |
| InChI Key | NDKYEUQMPZIGFN-UHFFFAOYSA-N |
| Molecular Formula | C16H32O2 |
Cycloheptylacetic acid, 99%
CAS: 4401-20-1 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD01075701 InChI Key: DQNWKASPZFJVMJ-UHFFFAOYSA-N Synonym: cycloheptylacetic acid,cycloheptaneacetic acid,2-cycloheptylaceticacid,pubchem16200,acmc-20ald3 PubChem CID: 227401 IUPAC Name: 2-cycloheptylacetic acid SMILES: C1CCCC(CC1)CC(=O)O
| PubChem CID | 227401 |
|---|---|
| CAS | 4401-20-1 |
| Molecular Weight (g/mol) | 156.225 |
| MDL Number | MFCD01075701 |
| SMILES | C1CCCC(CC1)CC(=O)O |
| Synonym | cycloheptylacetic acid,cycloheptaneacetic acid,2-cycloheptylaceticacid,pubchem16200,acmc-20ald3 |
| IUPAC Name | 2-cycloheptylacetic acid |
| InChI Key | DQNWKASPZFJVMJ-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |
3-(3-Pyridyl)propionic acid, 97%
CAS: 3724-19-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00274197 InChI Key: WDGXIUUWINKTGP-UHFFFAOYSA-N Synonym: 3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332 PubChem CID: 259624 IUPAC Name: 3-pyridin-3-ylpropanoic acid SMILES: C1=CC(=CN=C1)CCC(=O)O
| PubChem CID | 259624 |
|---|---|
| CAS | 3724-19-4 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00274197 |
| SMILES | C1=CC(=CN=C1)CCC(=O)O |
| Synonym | 3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332 |
| IUPAC Name | 3-pyridin-3-ylpropanoic acid |
| InChI Key | WDGXIUUWINKTGP-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 22300-56-7 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.201 MDL Number: MFCD00051653 InChI Key: GQYQHAGPALBYDO-UHFFFAOYSA-N Synonym: 5-methyl-2-phenyl-2h-1,2,3-triazole-4-carboxylic acid,4-methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid,5-methyl-2-phenyl-1,2,3-triazole-4-carboxylic acid,4-methyl-2-phenyl-2h-1,2,3-triazole-5-carboxylic acid,2h-1,2,3-triazole-4-carboxylic acid, 5-methyl-2-phenyl,acmc-20ame3,maybridge1_002457,4-carboxy-5-methyl-2-phenyl-1,2,3-triazole,2-phenyl-5-methyl-4-carboxy-2h-1,2,3-triazole,2h-1,2,3-triazole-4-carboxylicacid,5-methyl-2-phenyl PubChem CID: 519936 IUPAC Name: 5-methyl-2-phenyltriazole-4-carboxylic acid SMILES: CC1=NN(N=C1C(=O)O)C2=CC=CC=C2
| PubChem CID | 519936 |
|---|---|
| CAS | 22300-56-7 |
| Molecular Weight (g/mol) | 203.201 |
| MDL Number | MFCD00051653 |
| SMILES | CC1=NN(N=C1C(=O)O)C2=CC=CC=C2 |
| Synonym | 5-methyl-2-phenyl-2h-1,2,3-triazole-4-carboxylic acid,4-methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid,5-methyl-2-phenyl-1,2,3-triazole-4-carboxylic acid,4-methyl-2-phenyl-2h-1,2,3-triazole-5-carboxylic acid,2h-1,2,3-triazole-4-carboxylic acid, 5-methyl-2-phenyl,acmc-20ame3,maybridge1_002457,4-carboxy-5-methyl-2-phenyl-1,2,3-triazole,2-phenyl-5-methyl-4-carboxy-2h-1,2,3-triazole,2h-1,2,3-triazole-4-carboxylicacid,5-methyl-2-phenyl |
| IUPAC Name | 5-methyl-2-phenyltriazole-4-carboxylic acid |
| InChI Key | GQYQHAGPALBYDO-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3O2 |
3-(4-Carboxyphenyl)propionic acid, 98%
CAS: 38628-51-2 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00016560 InChI Key: QSPCOYVUYYFWAU-UHFFFAOYSA-N Synonym: 4-2-carboxyethyl benzoic acid,3-4-carboxyphenyl propionic acid,3-4-carboxyphenyl propanoic acid,benzenepropanoic acid, 4-carboxy,pubchem19268,acmc-1ctf7,4-carboxyhydrocinnamic acid,4-carboxybenzenepropionic acid,4-2-carboxyethyl benzoicacid,carboxyphenylpropionicacid; 985 PubChem CID: 854054 IUPAC Name: 4-(2-carboxyethyl)benzoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)C(O)=O
| PubChem CID | 854054 |
|---|---|
| CAS | 38628-51-2 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00016560 |
| SMILES | OC(=O)CCC1=CC=C(C=C1)C(O)=O |
| Synonym | 4-2-carboxyethyl benzoic acid,3-4-carboxyphenyl propionic acid,3-4-carboxyphenyl propanoic acid,benzenepropanoic acid, 4-carboxy,pubchem19268,acmc-1ctf7,4-carboxyhydrocinnamic acid,4-carboxybenzenepropionic acid,4-2-carboxyethyl benzoicacid,carboxyphenylpropionicacid; 985 |
| IUPAC Name | 4-(2-carboxyethyl)benzoic acid |
| InChI Key | QSPCOYVUYYFWAU-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
n-Butyl Acetate, ACS, 99.5%, Spectrum™ Chemical
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CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| CAS | 123-86-4 |
|---|---|
| Molecular Weight (g/mol) | 116.16 |
| SMILES | CCCCOC(C)=O |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Isopentyl acetate, 99%, cont. ca 10% other isomers
CAS: 123-92-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00008946 InChI Key: MLFHJEHSLIIPHL-UHFFFAOYSA-N Synonym: isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate PubChem CID: 31276 ChEBI: CHEBI:31725 IUPAC Name: 3-methylbutyl acetate SMILES: CC(C)CCOC(C)=O
| PubChem CID | 31276 |
|---|---|
| CAS | 123-92-2 |
| Molecular Weight (g/mol) | 130.19 |
| ChEBI | CHEBI:31725 |
| MDL Number | MFCD00008946 |
| SMILES | CC(C)CCOC(C)=O |
| Synonym | isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate |
| IUPAC Name | 3-methylbutyl acetate |
| InChI Key | MLFHJEHSLIIPHL-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
iso-Propyl Acetate, BAKER ANALYZED™ Reagent, J.T. Baker™
CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C
| PubChem CID | 7915 |
|---|---|
| CAS | 108-21-4 |
| Molecular Weight (g/mol) | 102.133 |
| SMILES | CC(C)OC(=O)C |
| Synonym | isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester |
| IUPAC Name | propan-2-yl acetate |
| InChI Key | JMMWKPVZQRWMSS-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Isopropyl Palmitate, NF, 90%, Spectrum™ Chemical
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CAS: 142-91-6 Molecular Formula: C19H38O2 Molecular Weight (g/mol): 298.51 MDL Number: MFCD00008993 InChI Key: XUGNVMKQXJXZCD-UHFFFAOYSA-N IUPAC Name: propan-2-yl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C
| CAS | 142-91-6 |
|---|---|
| Molecular Weight (g/mol) | 298.51 |
| MDL Number | MFCD00008993 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(C)C |
| IUPAC Name | propan-2-yl hexadecanoate |
| InChI Key | XUGNVMKQXJXZCD-UHFFFAOYSA-N |
| Molecular Formula | C19H38O2 |
2-(4-Hydroxyphenyl)propionic acid, 98%
CAS: 938-96-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00128847 InChI Key: ZHMMPVANGNPCBW-UHFFFAOYSA-N Synonym: 2-4-hydroxyphenyl propanoic acid,2-4-hydroxyphenyl propionic acid,4-hydroxyhydratropate,4-hydroxyhydratropic acid,4-hydroxyphenyl-2-propionic acid,2-4'-hydroxyphenyl-propionic acid,2-4-hydroxyphenyl propionate,acmc-209ro0,4-hydroxyphenyl propanoic acid,methyl 4-hydroxyphenylacetic acid PubChem CID: 102526 ChEBI: CHEBI:1868 IUPAC Name: 2-(4-hydroxyphenyl)propanoic acid SMILES: CC(C1=CC=C(C=C1)O)C(=O)O
| PubChem CID | 102526 |
|---|---|
| CAS | 938-96-5 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:1868 |
| MDL Number | MFCD00128847 |
| SMILES | CC(C1=CC=C(C=C1)O)C(=O)O |
| Synonym | 2-4-hydroxyphenyl propanoic acid,2-4-hydroxyphenyl propionic acid,4-hydroxyhydratropate,4-hydroxyhydratropic acid,4-hydroxyphenyl-2-propionic acid,2-4'-hydroxyphenyl-propionic acid,2-4-hydroxyphenyl propionate,acmc-209ro0,4-hydroxyphenyl propanoic acid,methyl 4-hydroxyphenylacetic acid |
| IUPAC Name | 2-(4-hydroxyphenyl)propanoic acid |
| InChI Key | ZHMMPVANGNPCBW-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
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 |
Ethyl 1-naphthoate, 97%
CAS: 3007-97-4 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00016805 InChI Key: XCTLDQQOHIEUCJ-UHFFFAOYSA-N Synonym: ethyl 1-naphthoate,ethyl alpha-naphthoate,1-naphthoic acid, ethyl ester,ethyl alfa-naphthoate,1-naphthalenecarboxylic acid, ethyl ester,1-naphthoic acid ethyl ester,naphthalene-1-carboxylic acid ethyl ester,ethyl naphthalenecarboxylate,ethyl a-naphthoate,ethylalpha-naphthoate PubChem CID: 76364 IUPAC Name: ethyl naphthalene-1-carboxylate SMILES: CCOC(=O)C1=CC=CC2=CC=CC=C21
| PubChem CID | 76364 |
|---|---|
| CAS | 3007-97-4 |
| Molecular Weight (g/mol) | 200.237 |
| MDL Number | MFCD00016805 |
| SMILES | CCOC(=O)C1=CC=CC2=CC=CC=C21 |
| Synonym | ethyl 1-naphthoate,ethyl alpha-naphthoate,1-naphthoic acid, ethyl ester,ethyl alfa-naphthoate,1-naphthalenecarboxylic acid, ethyl ester,1-naphthoic acid ethyl ester,naphthalene-1-carboxylic acid ethyl ester,ethyl naphthalenecarboxylate,ethyl a-naphthoate,ethylalpha-naphthoate |
| IUPAC Name | ethyl naphthalene-1-carboxylate |
| InChI Key | XCTLDQQOHIEUCJ-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
Isopropyl Myristate, NF, 90%, Spectrum™ Chemical
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CAS: 110-27-0 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.46 InChI Key: AXISYYRBXTVTFY-UHFFFAOYSA-N IUPAC Name: propan-2-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
| CAS | 110-27-0 |
|---|---|
| Molecular Weight (g/mol) | 270.46 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(C)C |
| IUPAC Name | propan-2-yl tetradecanoate |
| InChI Key | AXISYYRBXTVTFY-UHFFFAOYSA-N |
| Molecular Formula | C17H34O2 |
3-Cyclohexene-1-carboxylic acid, 98%
CAS: 4771-80-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00013781 InChI Key: VUSWCWPCANWBFG-UHFFFAOYSA-N Synonym: 3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid PubChem CID: 20903 IUPAC Name: cyclohex-3-ene-1-carboxylic acid SMILES: C1CC(CC=C1)C(=O)O
| PubChem CID | 20903 |
|---|---|
| CAS | 4771-80-6 |
| Molecular Weight (g/mol) | 126.155 |
| MDL Number | MFCD00013781 |
| SMILES | C1CC(CC=C1)C(=O)O |
| Synonym | 3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid |
| IUPAC Name | cyclohex-3-ene-1-carboxylic acid |
| InChI Key | VUSWCWPCANWBFG-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |