4-Hydroxy-3-(2'-Hydroxy-4-Biphenylyl)-6-Oxo-6,7-Dihydrothieno[2,3-B]Pyridine-5-Carbonitrile

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Properties Simple | Detailed

Formula C20H12N2O3S
IUPAC Name 4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7h-thieno[2,3-b]pyridine-5-carbonitrile
Molecular Mass 360.386 g·mol−1
Heat of Formation -59.5 ± 16.7 kJ·mol−1
Dipole Moment 7.03 ± 1.08 D
Volume 401.39 Å 3
Surface Area 352.68 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-4-keto-7h-thieno[3,2-e]pyridine-5-carbonitrile
InChIKey CTESJDQKVOEUOY-UHFFFAOYSA-N
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