3-Cyano-7-Hydroxycoumarin

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Properties Simple | Detailed

Formula C10H5NO3
IUPAC Name 7-hydroxy-2-oxo-chromene-3-carbonitrile
Molecular Mass 187.152 g·mol−1
Heat of Formation -209.9 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 203.85 Å 3
Surface Area 202.5 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 1.19 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-3-carbonitrile, 7-hydroxy-2-oxo-
  • 3-chdc
  • 3-cyanoumbelliferone
  • 7-hydroxy-2-keto-chromene-3-carbonitrile
  • 7-hydroxy-2-oxo-3-chromenecarbonitrile
  • 7-hydroxy-2-oxochromene-3-carbonitrile
  • oprea1_274246
CAS Number(s)
  • 19088-73-4
InChIKey IJQYTHQDUDCJEQ-UHFFFAOYSA-N
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