M83

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Summary

Name:5-(3-cyanophenyl)furan-2-carboxylic acid
Formula:C12 H7 N O3
Formal charge:0
Molecular weight:213.189 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-(3-cyanophenyl)furan-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H7NO3/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6H,(H,14,15)
InChIKeyInChI1.03ZBBYBWMLIOUQRN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1oc(cc1)c2cccc(c2)C#N
SMILESCACTVS3.385OC(=O)c1oc(cc1)c2cccc(c2)C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N