7-Ethoxy-2-Oxo-2H-Chromene-3-Carbonitrile

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Properties Simple | Detailed

Formula C12H9NO3
IUPAC Name 7-ethoxy-2-oxo-chromene-3-carbonitrile
Molecular Mass 215.205 g·mol−1
Heat of Formation -225.1 ± 16.7 kJ·mol−1
Dipole Moment 8.48 ± 1.08 D
Volume 245.65 Å 3
Surface Area 241.6 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-3-carbonitrile, 7-ethoxy-2-oxo-
  • 3-cetc
  • 3-cyano-7-ethoxycoumarin
  • 7-ethoxy-2-keto-chromene-3-carbonitrile
  • 7-ethoxy-2-oxo-3-chromenecarbonitrile
  • 7-ethoxy-2-oxochromene-3-carbonitrile
  • 7-ethoxycoumarin-3-carbonitrile
  • oprea1_543395
CAS Number(s)
  • 117620-77-6
InChIKey YAFGHMIAFYQSCF-UHFFFAOYSA-N
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