| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W67MQQ79JA |
| EPA CompTox | DTXSID50201565 |
| InChI Key | JWMNHAMYTBAUPI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.12 |
| AlogP | 1.99 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5340-78-3 |
| NORMAN SUSDAT | |
| FDA SRS | W67MQQ79JA |
| PubChem | 79284 |
| ChemSpider | 71608.0 |