| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 574JV8BYR2 |
| EPA CompTox | DTXSID50150029 |
| InChI Key | HFLGBNBLMBSXEM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.07 |
| AlogP | 1.66 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1124-39-6 |
| NORMAN SUSDAT | |
| FDA SRS | 574JV8BYR2 |
| PubChem | 70761 |
| ChemSpider | 63926.0 |