1F1

1H-indole-6-carboxylic acid

Created:2009-10-30
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count20
Aromatic Bond Count10
2D diagram of 1F1

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Chemical Component Summary

Name1H-indole-6-carboxylic acid
Systematic Name (OpenEye OEToolkits)1H-indole-6-carboxylic acid
FormulaC9 H7 N O2
Molecular Weight161.157
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(O)c1ccc2c(c1)ncc2
SMILESCACTVS3.352OC(=O)c1ccc2cc[nH]c2c1
SMILESOpenEye OEToolkits1.7.0c1cc(cc2c1cc[nH]2)C(=O)O
Canonical SMILESCACTVS3.352 OC(=O)c1ccc2cc[nH]c2c1
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(cc2c1cc[nH]2)C(=O)O
InChIInChI1.03 InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H,11,12)
InChIKeyInChI1.03 GHTDODSYDCPOCW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 595230
ChEMBL CHEMBL1229732
CCDC/CSD QECTOK, UCAYIK