| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X8TP9CN0XS |
| EPA CompTox | DTXSID10208176 |
Structure
| InChI Key | WIJQJQZZCNTOCF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.08 |
| AlogP | 1.09 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59472-06-9 |
| NORMAN SUSDAT | |
| FDA SRS | X8TP9CN0XS |
| PubChem | 101063 |
| ChemSpider | 91308.0 |
CONTENTS
