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| IUPAC Name: | 3-formylbenzoic acid |
| Description: | 3-Formylbenzoic Acid derivatives are used as a potent, nonsteroidal and noncompetitive inhibitors of estrone sulfatase. |
| Molecular Weight: | 150.13 |
| Molecular Formula: | C8H6O3 |
| Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C=O |
| InChI: | InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11) |
| InChI Key: | UHDNUPHSDMOGCR-UHFFFAOYSA-N |
| Boiling Point: | 331.7 °C at 760 mmHg |
| Melting Point: | 172-176 °C |
| Purity: | 95 % |
| Density: | 1.321 g/cm3 |
| Appearance: | White powder |
| Storage: | Store in a tightly closed container. Store in a cool, dry area away from incompatible substances. |
| MDL: | MFCD00039575 |
| LogP: | 1.19730 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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