Carboxylic acids and derivatives
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Sodium 4-hydroxybenzoate, 99+%
CAS: 114-63-6 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 MDL Number: MFCD00016530 InChI Key: ZLVSYODPTJZFMK-UHFFFAOYSA-M Synonym: sodium 4-hydroxybenzoate,sodium p-hydroxybenzoate,4-hydroxybenzoic acid sodium salt,sodium paraben,benzoic acid, 4-hydroxy-, monosodium salt,p-hydroxybenzoic acid sodium salt,monosodium p-hydroxybenzoate,monosodium 4-hydroxybenzoate,benzoic acid, p-hydroxy-, sodium salt,benzoic acid, 4-hydroxy-, sodium salt 1:1 PubChem CID: 16219477 SMILES: [Na+].OC1=CC=C(C=C1)C([O-])=O
| PubChem CID | 16219477 |
|---|---|
| CAS | 114-63-6 |
| Molecular Weight (g/mol) | 160.10 |
| MDL Number | MFCD00016530 |
| SMILES | [Na+].OC1=CC=C(C=C1)C([O-])=O |
| Synonym | sodium 4-hydroxybenzoate,sodium p-hydroxybenzoate,4-hydroxybenzoic acid sodium salt,sodium paraben,benzoic acid, 4-hydroxy-, monosodium salt,p-hydroxybenzoic acid sodium salt,monosodium p-hydroxybenzoate,monosodium 4-hydroxybenzoate,benzoic acid, p-hydroxy-, sodium salt,benzoic acid, 4-hydroxy-, sodium salt 1:1 |
| InChI Key | ZLVSYODPTJZFMK-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
3-(2-Pyridyl)propionic acid, 97%
CAS: 15197-75-8 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00995159 InChI Key: AZYKGQOIAGPVCK-UHFFFAOYSA-N Synonym: 3-pyridin-2-yl propanoic acid,3-2-pyridyl propionic acid,3-pyridin-2-yl-propionic acid,2-pyridinepropanoic acid,3-2-pyridinyl propanoic acid,pyridine-2-propionic acid,2-3-pyridyl propionic acid,3-2-pyridyl propanoic acid,3-2-pyridyl-propionic acid,2-pyridinepropanoicacid PubChem CID: 564292 IUPAC Name: 3-pyridin-2-ylpropanoic acid SMILES: C1=CC=NC(=C1)CCC(=O)O
| PubChem CID | 564292 |
|---|---|
| CAS | 15197-75-8 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00995159 |
| SMILES | C1=CC=NC(=C1)CCC(=O)O |
| Synonym | 3-pyridin-2-yl propanoic acid,3-2-pyridyl propionic acid,3-pyridin-2-yl-propionic acid,2-pyridinepropanoic acid,3-2-pyridinyl propanoic acid,pyridine-2-propionic acid,2-3-pyridyl propionic acid,3-2-pyridyl propanoic acid,3-2-pyridyl-propionic acid,2-pyridinepropanoicacid |
| IUPAC Name | 3-pyridin-2-ylpropanoic acid |
| InChI Key | AZYKGQOIAGPVCK-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
2,2,2-Trifluoroacetamide, 97%
CAS: 354-38-1 Molecular Formula: C2H2F3NO Molecular Weight (g/mol): 113.04 MDL Number: MFCD00008008 InChI Key: NRKYWOKHZRQRJR-UHFFFAOYSA-N Synonym: trifluoroacetamide,acetamide, 2,2,2-trifluoro,unii-36mu16byfk,n-trifluoroacetamide,2,2,2-trifluoro-acetamide,36mu16byfk,trifluroacetamide,trifluoro-acetamide,snylgqhjptadtaetp@,pubchem12622 PubChem CID: 67717 IUPAC Name: 2,2,2-trifluoroacetamide SMILES: NC(=O)C(F)(F)F
| PubChem CID | 67717 |
|---|---|
| CAS | 354-38-1 |
| Molecular Weight (g/mol) | 113.04 |
| MDL Number | MFCD00008008 |
| SMILES | NC(=O)C(F)(F)F |
| Synonym | trifluoroacetamide,acetamide, 2,2,2-trifluoro,unii-36mu16byfk,n-trifluoroacetamide,2,2,2-trifluoro-acetamide,36mu16byfk,trifluroacetamide,trifluoro-acetamide,snylgqhjptadtaetp@,pubchem12622 |
| IUPAC Name | 2,2,2-trifluoroacetamide |
| InChI Key | NRKYWOKHZRQRJR-UHFFFAOYSA-N |
| Molecular Formula | C2H2F3NO |
Quinoxaline-6-carboxylic acid, 95%
CAS: 6925-00-4 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD01365834 InChI Key: JGQDBVXRYDEWGM-UHFFFAOYSA-N Synonym: 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid PubChem CID: 674813 IUPAC Name: quinoxaline-6-carboxylic acid SMILES: C1=CC2=NC=CN=C2C=C1C(=O)O
| PubChem CID | 674813 |
|---|---|
| CAS | 6925-00-4 |
| Molecular Weight (g/mol) | 174.159 |
| MDL Number | MFCD01365834 |
| SMILES | C1=CC2=NC=CN=C2C=C1C(=O)O |
| Synonym | 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid |
| IUPAC Name | quinoxaline-6-carboxylic acid |
| InChI Key | JGQDBVXRYDEWGM-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
Ethyl 4-cyanophenylacetate, 98%, Thermo Scientific Chemicals
CAS: 1528-41-2 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.214 MDL Number: MFCD09953133 InChI Key: DFEWKWBIPMKGFG-UHFFFAOYSA-N Synonym: ethyl 2-4-cyanophenyl acetate,ethyl 4-cyanophenylacetate,ethyl 4-cyanophenyl acetate,4-cyano-phenyl acetic acid ethyl ester,ethyl p-cyanophenylacetate,acmc-1bve3,ethyl 4-cyanobenzeneacetate,ethyl4-cyanophenylacetate,4-cyanophenylacetic acid ethyl ester PubChem CID: 279718 IUPAC Name: ethyl 2-(4-cyanophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)C#N
| PubChem CID | 279718 |
|---|---|
| CAS | 1528-41-2 |
| Molecular Weight (g/mol) | 189.214 |
| MDL Number | MFCD09953133 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)C#N |
| Synonym | ethyl 2-4-cyanophenyl acetate,ethyl 4-cyanophenylacetate,ethyl 4-cyanophenyl acetate,4-cyano-phenyl acetic acid ethyl ester,ethyl p-cyanophenylacetate,acmc-1bve3,ethyl 4-cyanobenzeneacetate,ethyl4-cyanophenylacetate,4-cyanophenylacetic acid ethyl ester |
| IUPAC Name | ethyl 2-(4-cyanophenyl)acetate |
| InChI Key | DFEWKWBIPMKGFG-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
| CAS | 4664-01-1 |
|---|---|
| MDL Number | MFCD00013439 |
1-Methyl-1H-pyrazole-3-carboxylic acid, 96%
CAS: 25016-20-0 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00464254 InChI Key: YBFIKNNFQIBIQZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid PubChem CID: 573176 ChEBI: CHEBI:74738 IUPAC Name: 1-methylpyrazole-3-carboxylic acid SMILES: CN1C=CC(=N1)C(O)=O
| PubChem CID | 573176 |
|---|---|
| CAS | 25016-20-0 |
| Molecular Weight (g/mol) | 126.12 |
| ChEBI | CHEBI:74738 |
| MDL Number | MFCD00464254 |
| SMILES | CN1C=CC(=N1)C(O)=O |
| Synonym | 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-methylpyrazole-3-carboxylic acid |
| InChI Key | YBFIKNNFQIBIQZ-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate, 97%
CAS: 916791-97-4 Molecular Formula: C10H16N2O2 Molecular Weight (g/mol): 196.25 MDL Number: MFCD00173782 InChI Key: RCXMILPYEKVQLB-UHFFFAOYSA-N Synonym: ethyl 3-tert-butyl-1h-pyrazole-5-carboxylate,5-tert-butyl-2h-pyrazole-3-carboxylic acid ethyl ester,5-tert-butyl-2h-pyrazole-3-carboxylic acid ethylester,ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate,ethyl 5-tert-butyl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-1,1-dimethylethyl-, ethyl ester,maybridge3_006722,acmc-1cr14 PubChem CID: 2743509 IUPAC Name: ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(=C1)C(C)(C)C
| PubChem CID | 2743509 |
|---|---|
| CAS | 916791-97-4 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00173782 |
| SMILES | CCOC(=O)C1=NNC(=C1)C(C)(C)C |
| Synonym | ethyl 3-tert-butyl-1h-pyrazole-5-carboxylate,5-tert-butyl-2h-pyrazole-3-carboxylic acid ethyl ester,5-tert-butyl-2h-pyrazole-3-carboxylic acid ethylester,ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate,ethyl 5-tert-butyl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-1,1-dimethylethyl-, ethyl ester,maybridge3_006722,acmc-1cr14 |
| IUPAC Name | ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate |
| InChI Key | RCXMILPYEKVQLB-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O2 |
N-(2-Hydroxyethyl)formamide, 97%
CAS: 693-06-1 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.09 MDL Number: MFCD00021040 InChI Key: BAMUPQJDKBGDPU-UHFFFAOYSA-N Synonym: n-2-hydroxyethyl formamide,formamide, n-2-hydroxyethyl,n-formylethanolamine PubChem CID: 69657 IUPAC Name: N-(2-hydroxyethyl)formamide SMILES: OCCNC=O
| PubChem CID | 69657 |
|---|---|
| CAS | 693-06-1 |
| Molecular Weight (g/mol) | 89.09 |
| MDL Number | MFCD00021040 |
| SMILES | OCCNC=O |
| Synonym | n-2-hydroxyethyl formamide,formamide, n-2-hydroxyethyl,n-formylethanolamine |
| IUPAC Name | N-(2-hydroxyethyl)formamide |
| InChI Key | BAMUPQJDKBGDPU-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO2 |
(1S,3R)-cis-3-(Methoxycarbonyl)cyclopentane-1-carboxylic acid, 97%
CAS: 96443-42-4 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD04972280 InChI Key: FVUHGTQDOMGZOT-NTSWFWBYSA-N Synonym: 1s,3r-3-methoxycarbonyl cyclopentanecarboxylic acid,1s,3r-3-methoxycarbonyl cyclopentane-1-carboxylic acid,1r,3s-1,3-cyclopentanedicarboxylic acid 1-methyl ester,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxylic acid,cis-3-methoxycarbonyl cyclopentancarboxylic acid,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxyl,1,3-cyclopentanedicarboxylicacid,1-methyl ester, 1r,3s,1r-cis-1,3-cyclopentanedicarboxylic acid monomethyl ester,1,3-cyclopentanedicarboxylic acid, 1-methyl ester, 1r,3s PubChem CID: 10888375 IUPAC Name: (1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid SMILES: COC(=O)C1CCC(C1)C(=O)O
| PubChem CID | 10888375 |
|---|---|
| CAS | 96443-42-4 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD04972280 |
| SMILES | COC(=O)C1CCC(C1)C(=O)O |
| Synonym | 1s,3r-3-methoxycarbonyl cyclopentanecarboxylic acid,1s,3r-3-methoxycarbonyl cyclopentane-1-carboxylic acid,1r,3s-1,3-cyclopentanedicarboxylic acid 1-methyl ester,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxylic acid,cis-3-methoxycarbonyl cyclopentancarboxylic acid,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxyl,1,3-cyclopentanedicarboxylicacid,1-methyl ester, 1r,3s,1r-cis-1,3-cyclopentanedicarboxylic acid monomethyl ester,1,3-cyclopentanedicarboxylic acid, 1-methyl ester, 1r,3s |
| IUPAC Name | (1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid |
| InChI Key | FVUHGTQDOMGZOT-NTSWFWBYSA-N |
| Molecular Formula | C8H12O4 |
6-Bromooxindole, 97%
CAS: 99365-40-9 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.05 MDL Number: MFCD02179605,MFCD22576660 InChI Key: JARRYVQFBQVOBE-UHFFFAOYSA-N Synonym: 6-bromooxindole,6-bromoindolin-2-one,6-bromo-2-oxindole,6-bromo-1,3-dihydro-2h-indol-2-one,6-bromo-2-oxyindole,6-bromo-1,3-dihydro-indol-2-one,6-bromo-2-indolinone,6-bromooxindol,6-bromo-2,3-dihydro-1h-indol-2-one,2h-indol-2-one, 6-bromo-1,3-dihydro PubChem CID: 2773289 IUPAC Name: 6-bromo-1,3-dihydroindol-2-one SMILES: BrC1=CC=C2CC(=O)NC2=C1
| PubChem CID | 2773289 |
|---|---|
| CAS | 99365-40-9 |
| Molecular Weight (g/mol) | 212.05 |
| MDL Number | MFCD02179605,MFCD22576660 |
| SMILES | BrC1=CC=C2CC(=O)NC2=C1 |
| Synonym | 6-bromooxindole,6-bromoindolin-2-one,6-bromo-2-oxindole,6-bromo-1,3-dihydro-2h-indol-2-one,6-bromo-2-oxyindole,6-bromo-1,3-dihydro-indol-2-one,6-bromo-2-indolinone,6-bromooxindol,6-bromo-2,3-dihydro-1h-indol-2-one,2h-indol-2-one, 6-bromo-1,3-dihydro |
| IUPAC Name | 6-bromo-1,3-dihydroindol-2-one |
| InChI Key | JARRYVQFBQVOBE-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO |
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 |
Citric acid, trisodium salt dihydrate, 99%, for biochemistry
CAS: 1545801 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K Synonym: trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate PubChem CID: 71474 ChEBI: CHEBI:32142 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
| PubChem CID | 71474 |
|---|---|
| CAS | 1545801 |
| Molecular Weight (g/mol) | 294.1 |
| ChEBI | CHEBI:32142 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+] |
| Synonym | trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate |
| IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate |
| InChI Key | NLJMYIDDQXHKNR-UHFFFAOYSA-K |
| Molecular Formula | C6H9Na3O9 |
Methyl DL-lactate, 99%
CAS: 547-64-8 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00066367 InChI Key: LPEKGGXMPWTOCB-UHFFFAOYSA-N Synonym: methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate PubChem CID: 11040 ChEBI: CHEBI:83221 IUPAC Name: methyl 2-hydroxypropanoate SMILES: CC(C(=O)OC)O
| PubChem CID | 11040 |
|---|---|
| CAS | 547-64-8 |
| Molecular Weight (g/mol) | 104.105 |
| ChEBI | CHEBI:83221 |
| MDL Number | MFCD00066367 |
| SMILES | CC(C(=O)OC)O |
| Synonym | methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate |
| IUPAC Name | methyl 2-hydroxypropanoate |
| InChI Key | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
n-Butyl butyrate, 99%
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 |