| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UT8QT93GZ5 |
| EPA CompTox | DTXSID20202281 |
| InChI Key | MPJCIHOJXMCSIM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.15 |
| AlogP | 2.17 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5398-08-3 |
| NORMAN SUSDAT | |
| FDA SRS | UT8QT93GZ5 |
| PubChem | 79384 |
| ChemSpider | 71703.0 |