| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1S7TMF0R8T |
| EPA CompTox | DTXSID00208923 |
Structure
| InChI Key | HHWWWZQYHPFCBY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6O4 |
| Molecular Weight | 154.03 |
| AlogP | 0.43 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.51 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6018-41-3 |
| NORMAN SUSDAT | |
| FDA SRS | 1S7TMF0R8T |
| PubChem | 80113 |
| ChemSpider | 72362.0 |
CONTENTS
