| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U2FTM9W2TQ |
| EPA CompTox | DTXSID60161924 |
| InChI Key | PTNTZAYEADFZLE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.07 |
| AlogP | 1.84 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14201-58-2 |
| NORMAN SUSDAT | |
| FDA SRS | U2FTM9W2TQ |
| PubChem | 84252 |
| ChemSpider | 76009.0 |