| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5KD98Q3SUY |
| EPA CompTox | DTXSID30194709 |
| InChI Key | RRIRSNXZGJWTQM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.11 |
| AlogP | 1.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 4195-88-4 |
| NORMAN SUSDAT | |
| FDA SRS | 5KD98Q3SUY |
| PubChem | 77860 |
| ChemSpider | 70252.0 |