| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RQX0CMD9PN |
| EPA CompTox | DTXSID50239863 |
Structure
| InChI Key | MJKVTPMWOKAVMS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6O3 |
| Molecular Weight | 162.03 |
| AlogP | 1.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 50.44 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 939-19-5 |
| NORMAN SUSDAT | |
| FDA SRS | RQX0CMD9PN |
| PubChem | 13650 |
| ChemSpider | 13061.0 |
CONTENTS
