Coumarine, 3-Cyano-4-Methyl-

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Properties Simple | Detailed

Formula C11H7NO2
IUPAC Name 4-methyl-2-oxo-chromene-3-carbonitrile
Molecular Mass 185.179 g·mol−1
Heat of Formation -58.9 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 212.85 Å 3
Surface Area 205.86 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-keto-4-methyl-chromene-3-carbonitrile
  • 2h-1-benzopyran-3-carbonitrile, 4-methyl-2-oxo-
  • 3-cyano-4-methylcoumarin
  • 4-methyl-2-oxo-3-chromenecarbonitrile
  • 4-methyl-2-oxochromene-3-carbonitrile
CAS Number(s)
  • 24526-69-0
InChIKey FFBLBFMTKGSSPY-UHFFFAOYSA-N
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