| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3N8M86C7EV |
| EPA CompTox | DTXSID40165763 |
Structure
| InChI Key | PAALZGOZEUHCET-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.07 |
| AlogP | 0.65 |
| Hydrogen Bond Acceptor | 4.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15498-31-4 |
| NORMAN SUSDAT | |
| FDA SRS | 3N8M86C7EV |
| PubChem | 84948 |
| ChemSpider | 76630.0 |
CONTENTS
