| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 36R5QJ8L4B |
| EPA CompTox | DTXSID4021212 |
Structure
| InChI Key | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6O4 |
| Molecular Weight | 154.03 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 77.76 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 99-50-3 |
| NORMAN SUSDAT | |
| FDA SRS | 36R5QJ8L4B |
| PubChem | 72 |
| ChemSpider | 71.0 |
CONTENTS
