| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NEZ3E3TQ9C |
| EPA CompTox | DTXSID20185348 |
| InChI Key | SWGDHTSWHSSMLE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08 |
| AlogP | 1.19 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 34.14 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3142-58-3 |
| NORMAN SUSDAT | |
| FDA SRS | NEZ3E3TQ9C |
| PubChem | 76595 |
| ChemSpider | 69060.0 |