(2S,3S,3Ar)-3A-Allyl-2-(1,3-Benzodioxol-5-Yl)-5-Methoxy-3-Methyl-3,3A-Dihydro-1-Benzofuran-6(2H)-One

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Formula C20H20O5
IUPAC Name (2s,3s,3ar)-3a-allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one
Molecular Mass 340.370 g·mol−1
Heat of Formation -476.1 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 400.01 Å 3
Surface Area 338.04 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,3ar)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
  • (2s,3s,3ar)-3a-allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one
InChIKey SOLJFAQVSWXZEQ-CFGAKRJMSA-N
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