| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | I6YGX96BZO |
| EPA CompTox | DTXSID3057856 |
Structure
| InChI Key | JPOUJDLGAPEXAN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O4 |
| Molecular Weight | 164.1 |
| AlogP | 0.27 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 36.92 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94158-44-8 |
| NORMAN SUSDAT | |
| FDA SRS | I6YGX96BZO |
| PubChem | 56738 |
| ChemSpider | 51164.0 |
CONTENTS
