| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ERG9UE2DFW |
| EPA CompTox | DTXSID10169576 |
Structure
| InChI Key | NPBUMSUYCUWTSF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12O8 |
| Molecular Weight | 260.05 |
| AlogP | -1.03 |
| Hydrogen Bond Acceptor | 8.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 105.2 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1733-15-9 |
| NORMAN SUSDAT | |
| FDA SRS | ERG9UE2DFW |
| PubChem | 95156 |
| ChemSpider | 71896.0 |
CONTENTS
