| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9NF25F2LUE |
| EPA CompTox | DTXSID00197348 |
Structure
| InChI Key | QTWUWCFGWYYRRL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6O4 |
| Molecular Weight | 178.03 |
| AlogP | 1.06 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4792-29-4 |
| NORMAN SUSDAT | |
| FDA SRS | 9NF25F2LUE |
| PubChem | 78517 |
| ChemSpider | 70878.0 |
CONTENTS
