| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4MJL0GD54W |
| EPA CompTox | DTXSID70174469 |
Structure
| InChI Key | HSJYYLNJWGKZMD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.07 |
| AlogP | 1.42 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 47.92 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 20491-92-3 |
| NORMAN SUSDAT | |
| FDA SRS | 4MJL0GD54W |
| PubChem | 88563 |
| ChemSpider | 79907.0 |
CONTENTS
