| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SS5ZYG2USQ |
| EPA CompTox | DTXSID20143968 |
| InChI Key | VAMWBRIIBYQTGS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.09 |
| AlogP | 2.22 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1015-55-0 |
| NORMAN SUSDAT | |
| FDA SRS | SS5ZYG2USQ |
| PubChem | 70546 |
| ChemSpider | 63716.0 |