| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GP8KZ9U67C |
| EPA CompTox | DTXSID80207772 |
| InChI Key | SKYIVTXTOISXEF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.08 |
| AlogP | 2.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 49.69 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 59007-04-4 |
| NORMAN SUSDAT | |
| FDA SRS | GP8KZ9U67C |
| PubChem | 100926 |
| ChemSpider | 91186.0 |