| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RMU9T63UW8 |
| EPA CompTox | DTXSID00149983 |
| InChI Key | IVFJPARIJHUGPZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O1 |
| Molecular Weight | 136.09 |
| AlogP | 2.26 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1123-73-5 |
| NORMAN SUSDAT | |
| FDA SRS | RMU9T63UW8 |
| PubChem | 34858 |
| ChemSpider | 32080.0 |