| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UN4GQ6Z6JL |
| EPA CompTox | DTXSID40178010 |
| InChI Key | VLJKEQYDVMCGHW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08 |
| AlogP | 1.19 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 34.14 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 23459-13-4 |
| NORMAN SUSDAT | |
| FDA SRS | UN4GQ6Z6JL |
| PubChem | 90108 |
| ChemSpider | 81344.0 |