| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Y488VJJ1FV |
| EPA CompTox | DTXSID7059565 |
Structure
| InChI Key | UPZFLZYXYGBAPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08 |
| AlogP | 1.16 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 126-39-6 |
| NORMAN SUSDAT | |
| FDA SRS | Y488VJJ1FV |
| PubChem | 61067 |
| ChemSpider | 55022.0 |
CONTENTS
