| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 66P41R0030 |
| EPA CompTox | DTXSID7026441 |
Structure
| InChI Key | HEWZVZIVELJPQZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O2 |
| Molecular Weight | 104.08 |
| AlogP | 1.02 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 77-76-9 |
| NORMAN SUSDAT | |
| FDA SRS | 66P41R0030 |
| PubChem | 6495 |
| ChemSpider | 21106033.0 |
CONTENTS
