| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5SQM649798 |
| EPA CompTox | DTXSID7074531 |
Structure
| InChI Key | LBBAWVLUOZVYCC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.09 |
| AlogP | 1.06 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1462-12-0 |
| NORMAN SUSDAT | |
| FDA SRS | 5SQM649798 |
| PubChem | 73831 |
| ChemSpider | 66465.0 |
CONTENTS
