| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3066473 |
| InChI Key | LFYMGSKZVOVUKZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.13 |
| AlogP | 2.2 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 19256-31-6 |
| NORMAN SUSDAT | |
| PubChem | 87992 |
| ChemSpider | 79381.0 |