| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 43UZ9L4K8Q |
| EPA CompTox | DTXSID40174618 |
| InChI Key | XAHVPYNDLCTDTE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.15 |
| AlogP | 2.45 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 20602-86-2 |
| NORMAN SUSDAT | |
| FDA SRS | 43UZ9L4K8Q |
| PubChem | 88614 |
| ChemSpider | 79952.0 |