| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6SP3JAD4EE |
| EPA CompTox | DTXSID80192654 |
Structure
| InChI Key | JTIYNCLFBJDPQN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.07 |
| AlogP | 0.49 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 60.44 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39526-01-7 |
| NORMAN SUSDAT | |
| FDA SRS | 6SP3JAD4EE |
| PubChem | 3016084 |
| ChemSpider | 2284088.0 |
CONTENTS
