| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | OB1JPY343G |
| EPA CompTox | DTXSID60870569 |
Structure
| InChI Key | ORGPJDKNYMVLFL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4O4 |
| Molecular Weight | 140.01 |
| AlogP | 0.34 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 67.51 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 500-05-0 |
| NORMAN SUSDAT | |
| FDA SRS | OB1JPY343G |
| PubChem | 68141 |
CONTENTS
