ST50977403
4-hydroxy-1-oxido-3-oxoquinoxalin-1-ium-2-carbonitrile
Also Known As: CCG-2531|1,3,4-trihydroxyquinoxaline-2-carbonitrile|3-hydroxy-2-quinoxalinecarbonitrile 1,4-dioxide|4-hydroxy-1-oxido-3-oxoquinoxalin-1-ium-2-carbonitrile|4-hydroxy-1-oxido-3-oxo-quinoxalin-1-ium-2-carbonitrile|4-Hydroxy-1,3-dioxo-3,4-dihydro-1lambda~5~-quinoxaline-2-carbonitrile|4-Hydroxy-3-oxo-1,2,3,4-tetrahydro-2-quinoxalinecarbonitrile 1-oxide
CAS: 54259-09-5
| Molecular Formula | C9H5N3O3 |
|---|---|
| Molecular Weight | 203.0331 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.0331 |
| Monoisotopic Mass | 203.0331 |
| Heavy Atoms | 15 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 54259-09-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C#N)O |
| InChIKey | CCMASLOTVARBMX-UHFFFAOYSA-N |
Product Overview
ST50977403 (CAS 54259-09-5), with molecular formula C9H5N3O3 and molecular weight 203.0331 g/mol. IUPAC: 4-hydroxy-1-oxido-3-oxoquinoxalin-1-ium-2-carbonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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