| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3028342 |
| InChI Key | RYGCGBYTXDCDPZ-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.07 |
| AlogP | -1.2 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 66.76 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67845-26-5 |
| NORMAN SUSDAT | |
| ChemSpider | 96161.0 |