| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | V2XJJ5X0KI |
| EPA CompTox | DTXSID80202025 |
Structure
| InChI Key | KQWHHDCWLCCRLQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.09 |
| AlogP | 1.77 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53751-40-9 |
| NORMAN SUSDAT | |
| FDA SRS | V2XJJ5X0KI |
| PubChem | 104598 |
| ChemSpider | 94431.0 |
CONTENTS
