8HQ

8-hydroxyquinoline-4-carboxylic acid

Created:2013-04-12
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count11
2D diagram of 8HQ

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Toggle HydrogenToggle Labels

Chemical Component Summary

Name8-hydroxyquinoline-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)8-oxidanylquinoline-4-carboxylic acid
FormulaC10 H7 N O3
Molecular Weight189.167
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1c2cccc(O)c2ncc1
SMILESCACTVS3.385OC(=O)c1ccnc2c(O)cccc12
SMILESOpenEye OEToolkits1.9.2c1cc2c(ccnc2c(c1)O)C(=O)O
Canonical SMILESCACTVS3.385 OC(=O)c1ccnc2c(O)cccc12
Canonical SMILESOpenEye OEToolkits1.9.2 c1cc2c(ccnc2c(c1)O)C(=O)O
InChIInChI1.03 InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
InChIKeyInChI1.03 KPTUKANGPPVLMD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 97394
ChEMBL CHEMBL1435274