| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8NV7UJL4PO |
| EPA CompTox | DTXSID3062077 |
Structure
| InChI Key | SXLLDUPXUVRMEE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O6 |
| Molecular Weight | 220.09 |
| AlogP | 1.75 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 93.06 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1941-79-3 |
| NORMAN SUSDAT | |
| FDA SRS | 8NV7UJL4PO |
| PubChem | 74746 |
| ChemSpider | 67318.0 |
CONTENTS
