| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FN4CYZ9PV8 |
| EPA CompTox | DTXSID20177026 |
Structure
| InChI Key | PLHCSZRZWOWUBW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.07 |
| AlogP | 0.16 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22502-03-0 |
| NORMAN SUSDAT | |
| FDA SRS | FN4CYZ9PV8 |
| PubChem | 89734 |
| ChemSpider | 80993.0 |
CONTENTS
