| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BFX9W386OX |
| EPA CompTox | DTXSID4027234 |
| InChI Key | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 598-98-1 |
| NORMAN SUSDAT | |
| FDA SRS | BFX9W386OX |
| PubChem | 69027 |
| ChemSpider | 62249.0 |