2-(2,4-Dihydroxybenzyl)-3-(3,4-Methylenedioxybenzyl)-1,3-Butadiene

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Properties Simple | Detailed

Formula C19H18O4
IUPAC Name 4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylene-but-3-enyl]benzene-1,3-diol
Molecular Mass 310.344 g·mol−1
Heat of Formation -377.5 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 375.27 Å 3
Surface Area 317.57 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzenediol, 4-(3-(1,3-benzodioxol-5-ylmethyl)-2-methylene-3-butenyl)-
  • 2-(2',4'-dihydroxybenzyl)-3-(3'',4''-methylenedioxybenzyl)-1,3-butadiene
  • 4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylene-but-3-enyl]resorcinol
  • 4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylenebut-3-enyl]benzene-1,3-diol
  • 4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylidene-but-3-enyl]benzene-1,3-diol
  • 4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylidenebut-3-enyl]benzene-1,3-diol
  • anolignan a
CAS Number(s)
  • 158081-97-1
InChIKey HFSAUGRJONZEDN-UHFFFAOYSA-N
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