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| IUPAC Name: | 2-formylbenzoic acid |
| Description: | 2-Carboxybenzaldehyde (CAS# 119-67-5) is a carboxylated derivative of benzaldehyde which is readily converted to 2-hydroxymethyl benzoic acid by CBA dehydrogenase. 2-Carboxybenzaldehyde is a metabolite of ampicillin phthalidyl ester. |
| Molecular Weight: | 150.13 |
| Molecular Formula: | C8H6O3 |
| Canonical SMILES: | C1=CC=C(C(=C1)C=O)C(=O)O |
| InChI: | InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11) |
| InChI Key: | DYNFCHNNOHNJFG-UHFFFAOYSA-N |
| Boiling Point: | 321.8 °C at 760 mmHg |
| Melting Point: | 96-99 °C |
| Purity: | 97 % |
| Density: | 1.4 g/cm3 |
| Appearance: | White to slightly beige crystalline powder |
| Storage: | Store in a tightly closed container. Store in a cool, dry area away from incompatible substances. |
| MDL: | MFCD00003336 |
| LogP: | 1.19730 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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