| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | BLUJLHCLUUKUQV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H20O4 |
| Molecular Weight | 192.14 |
| AlogP | 0.79 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 47.92 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56289-76-0 |
| NORMAN SUSDAT | |
| PubChem | 91792 |
| ChemSpider | 82888.0 |
CONTENTS
