KYA

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Summary

Name:4-hydroxyquinoline-2-carboxylic acid
Synonyms:Kynurenic acid
Formula:C10 H7 N O3
Formal charge:0
Molecular weight:189.167 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-hydroxyquinoline-2-carboxylic acid
OpenEye OEToolkits1.7.04-hydroxyquinoline-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1nc2ccccc2c(O)c1
SMILES_CANONICALCACTVS3.370OC(=O)c1cc(O)c2ccccc2n1
SMILESCACTVS3.370OC(=O)c1cc(O)c2ccccc2n1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)c(cc(n2)C(=O)O)O
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)c(cc(n2)C(=O)O)O
InChIInChI1.03InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKeyInChI1.03HCZHHEIFKROPDY-UHFFFAOYSA-N
170383
PDB entries from 2020-10-28