| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50915731 |
| InChI Key | OITUYDJHTTVPLA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.09 |
| AlogP | 0.96 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94291-55-1 |
| NORMAN SUSDAT | |
| PubChem | 3024274 |