| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 70ETD81LF0 |
| EPA CompTox | DTXSID3030428 |
| InChI Key | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6O3 |
| Molecular Weight | 126.03 |
| AlogP | 0.58 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 50.44 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67-47-0 |
| NORMAN SUSDAT | |
| FDA SRS | 70ETD81LF0 |
| PubChem | 237332 |
| ChemSpider | 207215.0 |