Millettocalyxin B

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Properties Simple | Detailed

Formula C22H21O6+
IUPAC Name 2-(1,3-benzodioxol-5-yl)-7-methoxy-6-(3-methylbut-2-enoxy)chromen-4-one
Molecular Mass 381.399 g·mol−1
Heat of Formation -624.7 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 436.58 Å 3
Surface Area 395.17 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1,3-benzodioxol-5-yl)-7-methoxy-6-(3-methylbut-2-enoxy)-4-chromenone
  • 2-(1,3-benzodioxol-5-yl)-7-methoxy-6-(3-methylbut-2-enoxy)chromone
InChIKey SGQVUQLRURNBCN-UHFFFAOYSA-N
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