G68

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Summary

Name:3-[6-(oxan-4-yl)pyridin-2-yl]phenol
Formula:C16 H17 N O2
Formal charge:0
Molecular weight:255.312 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-[6-(oxan-4-yl)pyridin-2-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H17NO2/c18-14-4-1-3-13(11-14)16-6-2-5-15(17-16)12-7-9-19-10-8-12/h1-6,11-12,18H,7-10H2
InChIKeyInChI1.03JWOOVEVAKYLUGG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(c1)c2cccc(n2)C3CCOCC3
SMILESCACTVS3.385Oc1cccc(c1)c2cccc(n2)C3CCOCC3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3