Organic acids and derivatives
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3-(1-Naphthyl)propionic acid, 96%
CAS: 3243-42-3 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD00033058 InChI Key: PRLKVVMRQFFIOQ-UHFFFAOYSA-N Synonym: 3-1-naphthyl propionic acid,3-naphthalen-1-yl propanoic acid,1-naphthalenepropanoic acid,1-naphthalenepropionic acid,3-1-naphthyl-propionic acid,3-1-naphthyl propanoic acid,3-naphth-1-yl propanoic acid,3-naphthalen-1-yl-propionic acid,1-naphthalenepropanoicacid,3-naphthylpropanoic acid PubChem CID: 95254 IUPAC Name: 3-naphthalen-1-ylpropanoic acid SMILES: OC(=O)CCC1=C2C=CC=CC2=CC=C1
| PubChem CID | 95254 |
|---|---|
| CAS | 3243-42-3 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD00033058 |
| SMILES | OC(=O)CCC1=C2C=CC=CC2=CC=C1 |
| Synonym | 3-1-naphthyl propionic acid,3-naphthalen-1-yl propanoic acid,1-naphthalenepropanoic acid,1-naphthalenepropionic acid,3-1-naphthyl-propionic acid,3-1-naphthyl propanoic acid,3-naphth-1-yl propanoic acid,3-naphthalen-1-yl-propionic acid,1-naphthalenepropanoicacid,3-naphthylpropanoic acid |
| IUPAC Name | 3-naphthalen-1-ylpropanoic acid |
| InChI Key | PRLKVVMRQFFIOQ-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
3,5-Dimethyladamantane-1-carboxylic acid, 97%
CAS: 14670-94-1 Molecular Formula: C13H19O2 Molecular Weight (g/mol): 207.29 MDL Number: MFCD00188067 InChI Key: BSWOQWGHXZTDOO-QGVZIFMBSA-M Synonym: 3,5-dimethyl-1-adamantanecarboxylic acid,1,3-dimethyladamantan-5-carboxylic acid,3,5-dimethyladamantanecarboxylic acid,maybridge1_002240,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3,5-dimethyl adamantane-1-carboxylic acid,acmc-20ancb,3,5-dimethyladamantane carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5-dimethyl PubChem CID: 2736224 IUPAC Name: 3,5-dimethyladamantane-1-carboxylic acid SMILES: C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C([O-])=O
| PubChem CID | 2736224 |
|---|---|
| CAS | 14670-94-1 |
| Molecular Weight (g/mol) | 207.29 |
| MDL Number | MFCD00188067 |
| SMILES | C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C([O-])=O |
| Synonym | 3,5-dimethyl-1-adamantanecarboxylic acid,1,3-dimethyladamantan-5-carboxylic acid,3,5-dimethyladamantanecarboxylic acid,maybridge1_002240,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3,5-dimethyl adamantane-1-carboxylic acid,acmc-20ancb,3,5-dimethyladamantane carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5-dimethyl |
| IUPAC Name | 3,5-dimethyladamantane-1-carboxylic acid |
| InChI Key | BSWOQWGHXZTDOO-QGVZIFMBSA-M |
| Molecular Formula | C13H19O2 |
3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid, 95%, Thermo Scientific™
CAS: 175277-11-9 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.223 InChI Key: SFSXXMXHJOSBAZ-UHFFFAOYSA-N Synonym: 3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid PubChem CID: 720529 IUPAC Name: 5-tert-butyl-2-methylpyrazole-3-carboxylic acid SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)O)C
| PubChem CID | 720529 |
|---|---|
| CAS | 175277-11-9 |
| Molecular Weight (g/mol) | 182.223 |
| SMILES | CC(C)(C)C1=NN(C(=C1)C(=O)O)C |
| Synonym | 3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid |
| IUPAC Name | 5-tert-butyl-2-methylpyrazole-3-carboxylic acid |
| InChI Key | SFSXXMXHJOSBAZ-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2O2 |
Butyl butyrate, 98%
CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC
| PubChem CID | 7983 |
|---|---|
| CAS | 109-21-7 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:87429 |
| MDL Number | MFCD00009450 |
| SMILES | CCCCOC(=O)CCC |
| Synonym | butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate |
| IUPAC Name | butyl butanoate |
| InChI Key | XUPYJHCZDLZNFP-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Ethyl indole-2-carboxylate, 97%
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 |
Propionic acid, 99%
CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00002756 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O
| PubChem CID | 1032 |
|---|---|
| CAS | 79-09-4 |
| Molecular Weight (g/mol) | 74.079 |
| ChEBI | CHEBI:30768 |
| MDL Number | MFCD00002756 |
| SMILES | CCC(=O)O |
| Synonym | propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin |
| IUPAC Name | propanoic acid |
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Cyanoacetic Acid, Spectrum™ Chemical
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CAS: 372-09-8
| CAS | 372-09-8 |
|---|
3,5,7-Trimethyladamantane-1-carboxylic acid, 97%, Thermo Scientific™
CAS: 15291-66-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00187581 InChI Key: DHIIUPVOLLOORM-UHFFFAOYSA-N Synonym: 3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl PubChem CID: 2802268 IUPAC Name: 3,5,7-trimethyladamantane-1-carboxylic acid SMILES: CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O
| PubChem CID | 2802268 |
|---|---|
| CAS | 15291-66-4 |
| Molecular Weight (g/mol) | 222.33 |
| MDL Number | MFCD00187581 |
| SMILES | CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O |
| Synonym | 3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl |
| IUPAC Name | 3,5,7-trimethyladamantane-1-carboxylic acid |
| InChI Key | DHIIUPVOLLOORM-UHFFFAOYSA-N |
| Molecular Formula | C14H22O2 |
2,2-Di-n-propylacetic acid, 98+%
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
2-Phenylethyl acetate, 98%
CAS: 103-45-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008720 InChI Key: MDHYEMXUFSJLGV-UHFFFAOYSA-N Synonym: phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate PubChem CID: 7654 ChEBI: CHEBI:31988 IUPAC Name: 2-phenylethyl acetate SMILES: CC(=O)OCCC1=CC=CC=C1
| PubChem CID | 7654 |
|---|---|
| CAS | 103-45-7 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:31988 |
| MDL Number | MFCD00008720 |
| SMILES | CC(=O)OCCC1=CC=CC=C1 |
| Synonym | phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate |
| IUPAC Name | 2-phenylethyl acetate |
| InChI Key | MDHYEMXUFSJLGV-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Isopropyl acetate, 99%, pure
CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00008877 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) | 102.13 |
| MDL Number | MFCD00008877 |
| 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 |
2-Methylcyclopropanecarboxylic acid, cis + trans, 96%
CAS: 29555-02-0 Molecular Formula: C5H7O2 Molecular Weight (g/mol): 99.11 MDL Number: MFCD00001293 InChI Key: AYEGPMGNMOIHDL-IUYQGCFVSA-M Synonym: 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl PubChem CID: 99873 IUPAC Name: 2-methylcyclopropane-1-carboxylic acid SMILES: C[C@H]1C[C@H]1C([O-])=O
| PubChem CID | 99873 |
|---|---|
| CAS | 29555-02-0 |
| Molecular Weight (g/mol) | 99.11 |
| MDL Number | MFCD00001293 |
| SMILES | C[C@H]1C[C@H]1C([O-])=O |
| Synonym | 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl |
| IUPAC Name | 2-methylcyclopropane-1-carboxylic acid |
| InChI Key | AYEGPMGNMOIHDL-IUYQGCFVSA-M |
| Molecular Formula | C5H7O2 |
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 378211-85-9 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD00297221 InChI Key: DZPAOAZDQHZRGG-UHFFFAOYSA-N Synonym: pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid PubChem CID: 670824 IUPAC Name: pyrazolo[1,5-a]pyrimidine-2-carboxylic acid SMILES: C1=CN2C(=CC(=N2)C(=O)O)N=C1
| PubChem CID | 670824 |
|---|---|
| CAS | 378211-85-9 |
| Molecular Weight (g/mol) | 163.14 |
| MDL Number | MFCD00297221 |
| SMILES | C1=CN2C(=CC(=N2)C(=O)O)N=C1 |
| Synonym | pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid |
| IUPAC Name | pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
| InChI Key | DZPAOAZDQHZRGG-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3O2 |
n-Butyl acetate, 99.5%, for biochemistry, AcroSeal™
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 |
Ethyl tetradecanoate, 98%
CAS: 124-06-1 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00008984 InChI Key: MMKRHZKQPFCLLS-UHFFFAOYSA-N Synonym: ethyl myristate,tetradecanoic acid, ethyl ester,myristic acid ethyl ester,myristic acid, ethyl ester,ethylmyristate,ethyl n-tetradecanoate,ethyl myristate natural,fema no. 2445,tetradecanoic acid ethyl ester,ethyl ester tetradecanoic acid PubChem CID: 31283 ChEBI: CHEBI:84849 IUPAC Name: ethyl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 31283 |
|---|---|
| CAS | 124-06-1 |
| Molecular Weight (g/mol) | 256.43 |
| ChEBI | CHEBI:84849 |
| MDL Number | MFCD00008984 |
| SMILES | CCCCCCCCCCCCCC(=O)OCC |
| Synonym | ethyl myristate,tetradecanoic acid, ethyl ester,myristic acid ethyl ester,myristic acid, ethyl ester,ethylmyristate,ethyl n-tetradecanoate,ethyl myristate natural,fema no. 2445,tetradecanoic acid ethyl ester,ethyl ester tetradecanoic acid |
| IUPAC Name | ethyl tetradecanoate |
| InChI Key | MMKRHZKQPFCLLS-UHFFFAOYSA-N |
| Molecular Formula | C16H32O2 |