| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EP7L5A4T5C |
| EPA CompTox | DTXSID10175314 |
| InChI Key | DCNHYWSNHGOKHN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.04 |
| AlogP | 0.2 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 21086-65-7 |
| NORMAN SUSDAT | |
| FDA SRS | EP7L5A4T5C |
| PubChem | 88786 |
| ChemSpider | 80116.0 |