| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4KE28XZ9GX |
| EPA CompTox | DTXSID7060918 |
| InChI Key | XNERWVPQCYSMLC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6O2 |
| Molecular Weight | 146.04 |
| AlogP | 1.12 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 637-44-5 |
| NORMAN SUSDAT | |
| FDA SRS | 4KE28XZ9GX |
| PubChem | 69475 |
| ChemSpider | 62682.0 |