| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U29JG7P7SZ |
| EPA CompTox | DTXSID0063993 |
| InChI Key | YYLCJWIQUFHYMY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.12 |
| AlogP | 3.07 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5736-89-0 |
| NORMAN SUSDAT | |
| FDA SRS | U29JG7P7SZ |
| PubChem | 79814 |
| ChemSpider | 72107.0 |