1-(1,3-Benzodioxol-5-Yl)-2-Propen-1-One

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Properties Simple | Detailed

Formula C10H8O3
IUPAC Name 1-(1,3-benzodioxol-5-yl)prop-2-en-1-one
Molecular Mass 176.169 g·mol−1
Heat of Formation -230.7 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 203.26 Å 3
Surface Area 200.97 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 1'-oxosafrole
  • 2-propen-1-one, 1-(1,3-benzodioxol-5-yl)-
  • 3',4'-(methylenedioxy)acrylophenone
  • acrylophenone, 3',4'-(methylenedioxy)- (8ci)
CAS Number(s)
  • 30418-53-2
InChIKey LNOUMTOCQWMBOJ-UHFFFAOYSA-N
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