| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | O9A8D29YDE |
| EPA CompTox | DTXSID7060598 |
Structure
| InChI Key | HDJLSECJEQSPKW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6O3 |
| Molecular Weight | 126.03 |
| AlogP | 1.07 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 39.44 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 611-13-2 |
| NORMAN SUSDAT | |
| FDA SRS | O9A8D29YDE |
| PubChem | 11902 |
| ChemSpider | 11408.0 |
CONTENTS
