| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00886169 |
| InChI Key | VUFKMYLDDDNUJS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1 |
| AlogP | 1.2 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 62435-71-6 |
| NORMAN SUSDAT | |
| PubChem | 98256 |
| ChemSpider | 88726.0 |