| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4052390 |
| InChI Key | ZHDQGHCZWWDMRS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O1 |
| Molecular Weight | 138.1 |
| AlogP | 2.18 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68039-48-5 |
| NORMAN SUSDAT | |
| PubChem | 97854 |
| ChemSpider | 88327.0 |