| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G5EXI4NID0 |
| EPA CompTox | DTXSID3041241 |
Structure
| InChI Key | XWEOGMYZFCHQNT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.09 |
| AlogP | 0.7 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6413-10-1 |
| NORMAN SUSDAT | |
| FDA SRS | G5EXI4NID0 |
| PubChem | 80865 |
| ChemSpider | 72995.0 |
CONTENTS
