7-Hydroxy-4,8-Dimethyl-2-Oxo-2H-Chromene-6-Carbonitrile

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Properties Simple | Detailed

Formula C12H10NO3+
IUPAC Name 7-hydroxy-4,8-dimethyl-2-oxo-chromene-6-carbonitrile
Molecular Mass 216.213 g·mol−1
Heat of Formation -294.3 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 244.67 Å 3
Surface Area 232.95 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 6-cyano-7-hydroxy-4,8-dimethylcoumarin
  • 7-hydroxy-2-keto-4,8-dimethyl-chromene-6-carbonitrile
  • 7-hydroxy-4,8-dimethyl-2-oxo-6-chromenecarbonitrile
  • 7-hydroxy-4,8-dimethyl-2-oxochromene-6-carbonitrile
  • chdmc
CAS Number(s)
  • 101994-23-4
InChIKey XAZQZKKQXOIMAO-UHFFFAOYSA-N
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