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

Molecule SVG Image

Properties Simple | Detailed

Formula C12H9NO3
IUPAC Name 7-hydroxy-4,8-dimethyl-2-oxo-chromene-6-carbonitrile
Molecular Mass 215.205 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N