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QUI

Summary
Name:2-CARBOXYQUINOXALINE
Formula:C9 H6 N2 O2
Formal charge:0
Formula weight:174.156 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04quinoxaline-2-carboxylic acid
OpenEye OEToolkits1.5.0quinoxaline-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1nc2ccccc2nc1
SMILES_CANONICALCACTVS3.341OC(=O)c1cnc2ccccc2n1
SMILESCACTVS3.341OC(=O)c1cnc2ccccc2n1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)ncc(n2)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)ncc(n2)C(=O)O
InChIInChI1.03InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChIKeyInChI1.03UPUZGXILYFKSGE-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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