Organic acids and derivatives
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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 |
5-Norbornene-2-carboxylic acid, predominantly endo isomer, 97%
CAS: 120-74-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00085356 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O
| PubChem CID | 78949 |
|---|---|
| CAS | 120-74-1 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00085356 |
| SMILES | C1C2CC(C1C=C2)C(=O)O |
| Synonym | 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid |
| IUPAC Name | bicyclo[2.2.1]hept-2-ene-5-carboxylic acid |
| InChI Key | FYGUSUBEMUKACF-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2-Methylbutyric acid, 98%
CAS: 116-53-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002669 InChI Key: WLAMNBDJUVNPJU-UHFFFAOYSA-N Synonym: 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl PubChem CID: 8314 ChEBI: CHEBI:37070 IUPAC Name: 2-methylbutanoic acid SMILES: CCC(C)C(=O)O
| PubChem CID | 8314 |
|---|---|
| CAS | 116-53-0 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:37070 |
| MDL Number | MFCD00002669 |
| SMILES | CCC(C)C(=O)O |
| Synonym | 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl |
| IUPAC Name | 2-methylbutanoic acid |
| InChI Key | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid, 97%, Thermo Scientific™
CAS: 10199-53-8 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.21 MDL Number: MFCD08271933 InChI Key: ZDUDGEACIDDEPL-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 1-methyl-5-phenyl,1h-pyrazole-3-carboxylic acid, 1-methyl-5-phenyl,3-carboxy-1-methyl-5-phenyl-1h-pyrazole,1-methyl-5-phenyl pyrazole-3-carboxylic acid,3-carboxy-1-methyl-1h-pyrazol-5-yl benzene,1-methyl-5-phenyl-1h-3-pyrazolecarboxylic acid PubChem CID: 7537619 IUPAC Name: 1-methyl-5-phenylpyrazole-3-carboxylic acid SMILES: CN1N=C(C=C1C1=CC=CC=C1)C(O)=O
| PubChem CID | 7537619 |
|---|---|
| CAS | 10199-53-8 |
| Molecular Weight (g/mol) | 202.21 |
| MDL Number | MFCD08271933 |
| SMILES | CN1N=C(C=C1C1=CC=CC=C1)C(O)=O |
| Synonym | 1-methyl-5-phenyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 1-methyl-5-phenyl,1h-pyrazole-3-carboxylic acid, 1-methyl-5-phenyl,3-carboxy-1-methyl-5-phenyl-1h-pyrazole,1-methyl-5-phenyl pyrazole-3-carboxylic acid,3-carboxy-1-methyl-1h-pyrazol-5-yl benzene,1-methyl-5-phenyl-1h-3-pyrazolecarboxylic acid |
| IUPAC Name | 1-methyl-5-phenylpyrazole-3-carboxylic acid |
| InChI Key | ZDUDGEACIDDEPL-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O2 |
| MDL Number | MFCD00002762 |
|---|
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 5-methylindole-2-carboxylate, 98%
CAS: 16382-15-3 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00022703 InChI Key: KMVFKXFOPNKHEM-UHFFFAOYSA-N Synonym: ethyl 5-methylindole-2-carboxylate,2-carbethoxy-5-methylindole,5-methylindole-2-carboxylic acid ethyl ester,5-methyl-1h-indole-2-carboxylic acid ethyl ester,pubchem7940,acmc-1brcs,5-methyl-2-ethoxycarbonyl indole,ethyl 5-methyl-2-indolecarboxylate,5-methyl-1h-indole-2-carboxylic acid, ethyl ester PubChem CID: 232919 IUPAC Name: ethyl 5-methyl-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C
| PubChem CID | 232919 |
|---|---|
| CAS | 16382-15-3 |
| Molecular Weight (g/mol) | 203.241 |
| MDL Number | MFCD00022703 |
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C |
| Synonym | ethyl 5-methylindole-2-carboxylate,2-carbethoxy-5-methylindole,5-methylindole-2-carboxylic acid ethyl ester,5-methyl-1h-indole-2-carboxylic acid ethyl ester,pubchem7940,acmc-1brcs,5-methyl-2-ethoxycarbonyl indole,ethyl 5-methyl-2-indolecarboxylate,5-methyl-1h-indole-2-carboxylic acid, ethyl ester |
| IUPAC Name | ethyl 5-methyl-1H-indole-2-carboxylate |
| InChI Key | KMVFKXFOPNKHEM-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO2 |
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 |
1-Methylindazole-3-carboxylic acid, 97%
CAS: 50890-83-0 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD00272569 InChI Key: OVVDFORZEGKEJM-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-3-carboxylic acid,n-methyl-indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylic acid,1h-indazole-3-carboxylic acid, 1-methyl,1-methyl-indazole-3-carboxylic acid,n-methylindazole-3-carboxylic acid,1-methylindozole-3-carboxylic acid,n-methyl-indozole-3-carboxylic acid,n-methyl-1h indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylicacid PubChem CID: 689105 IUPAC Name: 1-methylindazole-3-carboxylic acid SMILES: CN1C2=CC=CC=C2C(=N1)C(=O)O
| PubChem CID | 689105 |
|---|---|
| CAS | 50890-83-0 |
| Molecular Weight (g/mol) | 176.175 |
| MDL Number | MFCD00272569 |
| SMILES | CN1C2=CC=CC=C2C(=N1)C(=O)O |
| Synonym | 1-methyl-1h-indazole-3-carboxylic acid,n-methyl-indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylic acid,1h-indazole-3-carboxylic acid, 1-methyl,1-methyl-indazole-3-carboxylic acid,n-methylindazole-3-carboxylic acid,1-methylindozole-3-carboxylic acid,n-methyl-indozole-3-carboxylic acid,n-methyl-1h indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylicacid |
| IUPAC Name | 1-methylindazole-3-carboxylic acid |
| InChI Key | OVVDFORZEGKEJM-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
Ethyl trans-4-decenoate, 97%
CAS: 76649-16-6 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.31 MDL Number: MFCD00015574 InChI Key: AWNIQMQADACLCJ-CMDGGOBGSA-N Synonym: ethyl trans-4-decenoate,ethyl e-4-decenoate,ethyl 4-decenoate,4-decenoic acid, ethyl ester, e,ethyl 4e-decenoate,fema no. 3642,ethyl 4e-dec-4-enoate,ethyl trans-dec-4-enoate,ethyl e-dec-4-enoate,ethyl 4e-4-decenoate PubChem CID: 5362583 IUPAC Name: ethyl (E)-dec-4-enoate SMILES: CCCCC\C=C\CCC(=O)OCC
| PubChem CID | 5362583 |
|---|---|
| CAS | 76649-16-6 |
| Molecular Weight (g/mol) | 198.31 |
| MDL Number | MFCD00015574 |
| SMILES | CCCCC\C=C\CCC(=O)OCC |
| Synonym | ethyl trans-4-decenoate,ethyl e-4-decenoate,ethyl 4-decenoate,4-decenoic acid, ethyl ester, e,ethyl 4e-decenoate,fema no. 3642,ethyl 4e-dec-4-enoate,ethyl trans-dec-4-enoate,ethyl e-dec-4-enoate,ethyl 4e-4-decenoate |
| IUPAC Name | ethyl (E)-dec-4-enoate |
| InChI Key | AWNIQMQADACLCJ-CMDGGOBGSA-N |
| Molecular Formula | C12H22O2 |
1-Phenylcyclopropanecarboxylic acid, 97%
CAS: 6120-95-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00001288 InChI Key: IWWCCNVRNHTGLV-UHFFFAOYSA-N Synonym: 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid PubChem CID: 80206 IUPAC Name: 1-phenylcyclopropane-1-carboxylic acid SMILES: C1CC1(C2=CC=CC=C2)C(=O)O
| PubChem CID | 80206 |
|---|---|
| CAS | 6120-95-2 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD00001288 |
| SMILES | C1CC1(C2=CC=CC=C2)C(=O)O |
| Synonym | 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid |
| IUPAC Name | 1-phenylcyclopropane-1-carboxylic acid |
| InChI Key | IWWCCNVRNHTGLV-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Cyclopropanecarboxylic acid, 98%
CAS: 1759-53-1 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00001287 InChI Key: YMGUBTXCNDTFJI-UHFFFAOYSA-N Synonym: carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid PubChem CID: 15655 ChEBI: CHEBI:23500 IUPAC Name: cyclopropanecarboxylic acid SMILES: C1CC1C(=O)O
| PubChem CID | 15655 |
|---|---|
| CAS | 1759-53-1 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:23500 |
| MDL Number | MFCD00001287 |
| SMILES | C1CC1C(=O)O |
| Synonym | carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid |
| IUPAC Name | cyclopropanecarboxylic acid |
| InChI Key | YMGUBTXCNDTFJI-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
trans-3-(4-Pyridyl)acrylic acid, 97%
CAS: 84228-93-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00040746 InChI Key: SSAYTINUCCRGDR-OWOJBTEDSA-N Synonym: 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid PubChem CID: 736782 IUPAC Name: (E)-3-pyridin-4-ylprop-2-enoic acid SMILES: C1=CN=CC=C1C=CC(=O)O
| PubChem CID | 736782 |
|---|---|
| CAS | 84228-93-3 |
| Molecular Weight (g/mol) | 149.149 |
| MDL Number | MFCD00040746 |
| SMILES | C1=CN=CC=C1C=CC(=O)O |
| Synonym | 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid |
| IUPAC Name | (E)-3-pyridin-4-ylprop-2-enoic acid |
| InChI Key | SSAYTINUCCRGDR-OWOJBTEDSA-N |
| Molecular Formula | C8H7NO2 |
Ethyl 2-methylbutyrate, 99%
CAS: 7452-79-1 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00012217 InChI Key: HCRBXQFHJMCTLF-UHFFFAOYSA-N Synonym: ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci PubChem CID: 24020 IUPAC Name: ethyl 2-methylbutanoate SMILES: CCC(C)C(=O)OCC
| PubChem CID | 24020 |
|---|---|
| CAS | 7452-79-1 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00012217 |
| SMILES | CCC(C)C(=O)OCC |
| Synonym | ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci |
| IUPAC Name | ethyl 2-methylbutanoate |
| InChI Key | HCRBXQFHJMCTLF-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Isopropyl acetate, 99+%, pure
CAS: 108-21-4 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 |
| 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 |