| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 12GLI7JGB3 |
| EPA CompTox | DTXSID5020861 |
| InChI Key | ZBCATMYQYDCTIZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.05 |
| AlogP | 1.41 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 452-86-8 |
| NORMAN SUSDAT | |
| FDA SRS | 12GLI7JGB3 |
| PubChem | 9958 |
| ChemSpider | 9564.0 |