| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5WVV6D2TKP |
| EPA CompTox | DTXSID70181214 |
Structure
| InChI Key | XGRMVENQJLQMLT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.07 |
| AlogP | 0.36 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 26717-67-9 |
| NORMAN SUSDAT | |
| FDA SRS | 5WVV6D2TKP |
| PubChem | 117844 |
| ChemSpider | 76536.0 |
CONTENTS
