| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6S72J4U3QH |
| EPA CompTox | DTXSID80164730 |
| InChI Key | AVNABQMXUUJVKY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.12 |
| AlogP | 1.97 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 34.14 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 15119-66-1 |
| NORMAN SUSDAT | |
| FDA SRS | 6S72J4U3QH |
| PubChem | 84799 |
| ChemSpider | 76497.0 |