Ethyl 4-oxidoquinoxalin-4-ium-2-carboxylate

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Basic information

CAS: 23395-75-7
Standard SMILES: CCOC(=O)c1c[n+]([O-])c2ccccc2n1
InChIKey: SFQPZXAGUSTDON-UHFFFAOYSA-N
Molecular formula: C11H10N2O3
Average molar mass: 218.21 g/mol
Monoisotopic mass: 218.06914219

Names & identifiers

Preferred name: Ethyl 4-oxidoquinoxalin-4-ium-2-carboxylate
IUPAC: ethyl 4-oxidoquinoxalin-4-ium-2-carboxylate
English name: Ethyl2-quinoxalinecarboxylate4-oxide
Molecular formula: C11H10N2O3
Molecular weight: 218.21

Names & synonyms

Ethyl2-quinoxalinecarboxylate4-oxide3-(Ethoxycarbonyl)quinoxaline 1-oxide2-(Ethoxycarbonyl)quinoxaline-4-oxide2-(Ethoxycarbonyl)quinoxaline 4-oxide2-Quinoxalinecarboxylic acid, ethyl ester, 4-oxide

Database identifiers

CAS: 23395-75-7
PubChem CID: 589871
DTXSID: DTXSID201228564
Nikkaji: J350.912E

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 64.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 260

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