| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40186519 |
Structure
| InChI Key | OCOBFMZGRJOSOU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.1 |
| AlogP | 1.28 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 32864-38-3 |
| NORMAN SUSDAT | |
| PubChem | 96345 |
| ChemSpider | 86969.0 |
CONTENTS
