Cilinaphthalide A

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Properties Simple | Detailed

Formula C22H20O7
IUPAC Name 9-(4-hydroxy-3-methoxy-phenyl)-4,6,7-trimethoxy-3h-benzo[f]isobenzofuran-1-one
Molecular Mass 396.390 g·mol−1
Heat of Formation -839.7 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 448.76 Å 3
Surface Area 383.69 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 9-(4-hydroxy-3-methoxy-phenyl)-4,6,7-trimethoxy-3h-benzo[f][2]benzoxol-1-one
  • 9-(4-hydroxy-3-methoxy-phenyl)-4,6,7-trimethoxy-3h-benzo[f]isobenzofuran-1-one
  • 9-(4-hydroxy-3-methoxyphenyl)-4,6,7-trimethoxy-3h-benzo[f][2]benzoxol-1-one
  • 9-(4-hydroxy-3-methoxyphenyl)-4,6,7-trimethoxy-3h-benzo[f]isobenzofuran-1-one
InChIKey AIILOHJZHOBSKD-UHFFFAOYSA-N
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