6-Cyano-2,2-Dimethylchromene

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Properties Simple | Detailed

Formula C12H11NO
IUPAC Name 2,2-dimethylchromene-6-carbonitrile
Molecular Mass 185.222 g·mol−1
Heat of Formation 49.3 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 233.78 Å 3
Surface Area 223.05 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,2-dimethyl-2h-1-benzopyran-6-carbonitrile
  • 2,2-dimethyl-6-chromenecarbonitrile
  • km 06599
InChIKey YDEQIYMIVRCVAH-UHFFFAOYSA-N
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