Calone

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Properties Simple | Detailed

Formula C10H10O3
IUPAC Name 7-methyl-1,5-benzodioxepin-3-one
Molecular Mass 178.185 g·mol−1
Heat of Formation -368.2 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 204.31 Å 3
Surface Area 199.78 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,5-benzodioxepin-3(4h)-one, 7-methyl-
  • 7-methyl-2h-benzo-1,5-dioxepin-3(4h)-one
  • 7-methyl-3,4-dihydro-2h-1,5-benzodioxepin-3-one
  • 8-methyl-1,5-benzodioxepin-3-one
CAS Number(s)
  • 28940-11-6
  • 35783-05-2
InChIKey SWUIQEBPZIHZQS-UHFFFAOYSA-N
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