| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1047572 |
Structure
| InChI Key | XJHQVZQZUGLZLS-ARJAWSKDSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08 |
| AlogP | 1.52 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33467-73-1 |
| NORMAN SUSDAT | |
| PubChem | 5365587 |
| ChemSpider | 4517554.0 |
CONTENTS
