| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NBV7T69H2R |
| EPA CompTox | DTXSID2052077 |
| InChI Key | ZDBCSZOFHPULAS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.08 |
| AlogP | 1.66 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40203-73-4 |
| NORMAN SUSDAT | |
| FDA SRS | NBV7T69H2R |
| PubChem | 162409 |
| ChemSpider | 142598.0 |