| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50173132 |
Structure
| InChI Key | PROZFBRPPCAADD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.05 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19480-15-0 |
| NORMAN SUSDAT | |
| PubChem | 88088 |
| ChemSpider | 79471.0 |
CONTENTS
