| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9064NS087D |
| EPA CompTox | DTXSID7065382 |
| InChI Key | JGFBKJBAYISHAG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.07 |
| AlogP | 0.49 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 60.44 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 13246-52-1 |
| NORMAN SUSDAT | |
| FDA SRS | 9064NS087D |
| PubChem | 61590 |
| ChemSpider | 55499.0 |