| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G88MLX4ZEH |
| EPA CompTox | DTXSID30144845 |
| InChI Key | BWVSWJMSYLYIJA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.09 |
| AlogP | 1.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10226-28-5 |
| NORMAN SUSDAT | |
| FDA SRS | G88MLX4ZEH |
| PubChem | 82467 |
| ChemSpider | 74425.0 |