| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Z8K2HEA7BG |
| EPA CompTox | DTXSID80190115 |
| InChI Key | XUTUUQIIEPJMJI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16O3 |
| Molecular Weight | 196.11 |
| AlogP | 1.89 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3666-84-0 |
| NORMAN SUSDAT | |
| FDA SRS | Z8K2HEA7BG |
| PubChem | 77235 |
| ChemSpider | 69662.0 |