| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Q5ZRP80K02 |
| EPA CompTox | DTXSID0051601 |
Structure
| InChI Key | IEMMBWWQXVXBEU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6O2 |
| Molecular Weight | 110.04 |
| AlogP | 1.48 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 30.21 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1192-62-7 |
| NORMAN SUSDAT | |
| FDA SRS | Q5ZRP80K02 |
| PubChem | 14505 |
| ChemSpider | 13849.0 |
CONTENTS
