| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0070312 |
| InChI Key | OMWVNQFGCGNZHE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.1 |
| AlogP | 2.45 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 65383-61-1 |
| NORMAN SUSDAT | |
| PubChem | 103373 |
| ChemSpider | 93340.0 |