| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MQ4GX46XFF |
| EPA CompTox | DTXSID70163454 |
Structure
| InChI Key | IXVPCJUAKDVYKX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4O4 |
| Molecular Weight | 140.01 |
| AlogP | 0.55 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 67.51 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1467-70-5 |
| NORMAN SUSDAT | |
| FDA SRS | MQ4GX46XFF |
| PubChem | 73846 |
| ChemSpider | 66480.0 |
CONTENTS
