| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KEX5N0R4N5 |
| EPA CompTox | DTXSID9074430 |
Structure
| InChI Key | CFFZDZCDUFSOFZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.04 |
| AlogP | 0.72 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 77.76 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 102-32-9 |
| NORMAN SUSDAT | |
| FDA SRS | KEX5N0R4N5 |
| PubChem | 547 |
| ChemSpider | 532.0 |
CONTENTS
