| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BM6F9NYZ3E |
| EPA CompTox | DTXSID7066306 |
| InChI Key | WZKCZNJTDZCNMH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.1 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 18066-68-7 |
| NORMAN SUSDAT | |
| FDA SRS | BM6F9NYZ3E |
| PubChem | 87441 |
| ChemSpider | 78875.0 |