HuagongsheHuagongshe Chemistry Print Report · For research reference only
Quinoxaline-2,3-dicarboxylic acid
NSC 402845 · 2,3-Dicarboxyquinoxaline · 2,3-Quinoxalinedicarboxylic acid

Identifiers & Physical Properties
| CAS No. | 6924-99-8 |
|---|---|
| Molecular formula | C10H6N2O4 |
| Average molar mass | 218.17 g/mol |
| Monoisotopic mass | 218.03275667 g/mol |
| SMILES | O=C(O)c1nc2ccccc2nc1C(=O)O |
| InChIKey | CQZDWYYGOZOTHY-UHFFFAOYSA-N |
| PubChem CID | 81342 |
| ChEMBL | CHEMBL1410615 |
| EC No. | 230-046-9 |
| DTXSID | DTXSID10219303 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 100 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 277 |
| Melting point | 110 °C (decomp) |
| Boiling point | 430.6±45.0 °C(Predicted) |
| Density | 1.615±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.38±0.30(Predicted) |
| FDA UNII | SA97RT8ZGP |