4,6-Dimethyl-8,9,10,11-Tetrahydro-2H-[1]Benzofuro[2,3-H]Chromen-2-One

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Properties Simple | Detailed

Formula C17H16O3
IUPAC Name 4,6-dimethyl-8,9,10,11-tetrahydrobenzofuro[2,3-h]chromen-2-one
Molecular Mass 268.307 g·mol−1
Heat of Formation -363.9 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 311.79 Å 3
Surface Area 284.15 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-benzofuro(2,3-h)(1)benzopyran-2-one, 8,9,10,11-tetrahydro-4,6-dimethyl-
  • 4,6-dimethyl-8,9,10,11-tetrahydro-[1]benzoxolo[2,3-h]chromen-2-one
  • 4,6-dimethyl-8,9,10,11-tetrahydrobenzofurano[2,3-h]chromen-2-one
  • 8,9,10,11-tetrahydro-4,6-dimethyl-2h-benzofuro(2,3-h)(1)benzopyran-2-one
  • tetrahydrobenzo-4,6-dimethylangelicin
  • thba
CAS Number(s)
  • 109029-03-0
InChIKey PDLIOFGQZOFSJT-UHFFFAOYSA-N
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