| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30966564 |
| InChI Key | VHQZRMCDYDICCK-NEPJUHHUSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.11 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 52187-19-6 |
| NORMAN SUSDAT | |
| PubChem | 12115532 |