| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4M4NPR5VGD |
| EPA CompTox | DTXSID3047681 |
| InChI Key | KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.07 |
| AlogP | 0.94 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 34.14 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 4437-51-8 |
| NORMAN SUSDAT | |
| FDA SRS | 4M4NPR5VGD |
| PubChem | 62539 |
| ChemSpider | 56310.0 |