Xanthoxyloin

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Properties Simple | Detailed

Formula C15H14O4
IUPAC Name 5-methoxy-2,2-dimethyl-pyrano[3,2-g]chromen-8-one
Molecular Mass 258.269 g·mol−1
Heat of Formation -492.2 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 297.84 Å 3
Surface Area 269.86 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propenoic acid, 3-(7-hydroxy-5-methoxy-2,2-dimethyl-2h-1-benzopyran-6-yl)-, .delta.-lactone
  • 2h,8h-benzo(1,2-b:5,4-b')dipyran-2-one, 5-methoxy-8,8-dimethyl-
  • 2h,8h-benzo[1,2-b:5,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-
  • 5-methoxy-8,8-dimethyl-2-pyrano[5,6-g]chromenone
  • 5-methoxy-8,8-dimethyl-2h,8h-pyrano[3,2-g]chromen-2-one
  • 5-methoxy-8,8-dimethyl-pyrano[5,6-g]chromen-2-one
  • 5-methoxy-8,8-dimethylpyrano[5,6-g]chromen-2-one
  • acon1_000545
  • megxp0_001370
  • xanthoxyletin
  • xanthoxylin n
CAS Number(s)
  • 84-99-1
InChIKey JSJIIHRNDMLJGK-UHFFFAOYSA-N
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