| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WGU2QV9QE6 |
| EPA CompTox | DTXSID20228466 |
Structure
| InChI Key | AKSBCQNPVMRHRZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.08 |
| AlogP | 0.92 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7784-80-7 |
| NORMAN SUSDAT | |
| FDA SRS | WGU2QV9QE6 |
| PubChem | 82224 |
| ChemSpider | 74204.0 |
CONTENTS
