| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ULU5MKD9FL |
| EPA CompTox | DTXSID80196753 |
Structure
| InChI Key | UHCPCQYUMVLUKU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.06 |
| AlogP | -0.05 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 60.44 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4619-66-3 |
| NORMAN SUSDAT | |
| FDA SRS | ULU5MKD9FL |
| PubChem | 20736 |
| ChemSpider | 19525.0 |
CONTENTS
