| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID801004934 |
Structure
| InChI Key | QOJCSHDIADEFAZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.06 |
| AlogP | -0.09 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 55.9 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84643-60-7 |
| NORMAN SUSDAT | |
| PubChem | 11389531 |
CONTENTS
