| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HB4H48MKNI |
| EPA CompTox | DTXSID3060083 |
| InChI Key | OFQBYHLLIJGMNP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.06 |
| AlogP | 1.6 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 492-88-6 |
| NORMAN SUSDAT | |
| FDA SRS | HB4H48MKNI |
| PubChem | 68117 |
| ChemSpider | 61425.0 |