| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | C15K4UUJ1E |
| EPA CompTox | DTXSID90862477 |
Structure
| InChI Key | JFMGYULNQJPJCY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.03 |
| AlogP | -0.49 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 931-40-8 |
| NORMAN SUSDAT | |
| FDA SRS | C15K4UUJ1E |
| PubChem | 97944 |
| ChemSpider | 88417.0 |
CONTENTS
