| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0503177591 |
| EPA CompTox | DTXSID3021514 |
| InChI Key | PCSMJKASWLYICJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6O2 |
| Molecular Weight | 86.04 |
| AlogP | 0.16 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 34.14 |
| Heavy Atoms | 6.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 638-37-9 |
| NORMAN SUSDAT | |
| FDA SRS | 0503177591 |
| PubChem | 12524 |
| ChemSpider | 12007.0 |