| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 412E66LR7G |
| EPA CompTox | DTXSID5060778 |
Structure
| InChI Key | VUPKGFBOKBGHFZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.09 |
| AlogP | 1.96 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 623-96-1 |
| NORMAN SUSDAT | |
| FDA SRS | 412E66LR7G |
| PubChem | 69344 |
| ChemSpider | 62553.0 |
CONTENTS
