3-(1,3-Benzodioxol-5-Ylmethyl)-5-Hydroxy-7-Methoxy-8-Methyl-4-Oxo-4H-Chromene-6-Carbaldehyde

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Properties Simple | Detailed

Formula C20H16O7
IUPAC Name 3-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-7-methoxy-8-methyl-4-oxo-chromene-6-carbaldehyde
Molecular Mass 368.337 g·mol−1
Heat of Formation -841.2 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 400.64 Å 3
Surface Area 351.82 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-keto-7-methoxy-8-methyl-chromene-6-carbaldehyde
  • 3-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-7-methoxy-8-methyl-4-oxo-6-chromenecarboxaldehyde
  • 3-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-7-methoxy-8-methyl-4-oxochromene-6-carbaldehyde
  • 6-aldehydo-7-methoxyisoophiopogonanone b
  • almeoipb
CAS Number(s)
  • 123941-06-0
InChIKey SPDCQGQAIRCVFB-UHFFFAOYSA-N
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