| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FJ6RVQ86SM |
| EPA CompTox | DTXSID60198270 |
| InChI Key | CSKRBHOAJUMOKJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14O4 |
| Molecular Weight | 198.09 |
| AlogP | 0.57 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 68.28 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5027-32-7 |
| NORMAN SUSDAT | |
| FDA SRS | FJ6RVQ86SM |
| PubChem | 78730 |
| ChemSpider | 71074.0 |