| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | C5161AF8BX |
| EPA CompTox | DTXSID60161404 |
| InChI Key | FGVRUUHJVIWSEN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.11 |
| AlogP | 2.54 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14046-55-0 |
| NORMAN SUSDAT | |
| FDA SRS | C5161AF8BX |
| PubChem | 26422 |
| ChemSpider | 24616.0 |