| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RRM754RXFN |
| EPA CompTox | DTXSID8065581 |
| InChI Key | GANSPRKOWQQXPE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.05 |
| AlogP | 1.43 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 22.37 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 13679-46-4 |
| NORMAN SUSDAT | |
| FDA SRS | RRM754RXFN |
| PubChem | 61661 |
| ChemSpider | 55566.0 |