| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3FA38SB67J |
| EPA CompTox | DTXSID20181229 |
Structure
| InChI Key | RGCHNYAILFZUPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H12O6 |
| Molecular Weight | 252.06 |
| AlogP | 1.05 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 78.9 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2672-58-4 |
| NORMAN SUSDAT | |
| FDA SRS | 3FA38SB67J |
| PubChem | 75881 |
| ChemSpider | 68386.0 |
CONTENTS
