| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YJ45VSJ5KL |
| EPA CompTox | DTXSID00177064 |
| InChI Key | UXBLYMUHQJDAFO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H20O4 |
| Molecular Weight | 228.14 |
| AlogP | 2.09 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22539-80-6 |
| NORMAN SUSDAT | |
| FDA SRS | YJ45VSJ5KL |
| PubChem | 89748 |
| ChemSpider | 81006.0 |