| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QEU0NE4O90 |
| EPA CompTox | DTXSID70147451 |
| InChI Key | JUUBCHWRXWPFFH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.06 |
| AlogP | 0.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 60.69 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10597-60-1 |
| NORMAN SUSDAT | |
| FDA SRS | QEU0NE4O90 |
| PubChem | 82755 |
| ChemSpider | 74680.0 |