3-Buten-2-One, 4- (1,3-Benzodioxol-5-Yl)-

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Properties Simple | Detailed

Formula C11H10O3
IUPAC Name (e)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
Molecular Mass 190.195 g·mol−1
Heat of Formation -288.6 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 222.77 Å 3
Surface Area 222.25 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
  • (e)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
  • 2-butanone, 4-(3,4-(methylenedioxy)phenyl)-
  • 2-butanone, 4-[3,4-(methylenedioxy)phenyl]-
  • 3,4-(methylenedioxy)benzalacetone
  • 3,4-methylenedioxybenzyl acetone
  • 3,4-methylenedioxybenzylidene acetone
  • 3-buten-2-one, 4-(1,3-benzodioxol-5-yl)-
  • 3-buten-2-one, 4-(3,4-(methylenedioxy)phenyl)-
  • 3-buten-2-one, 4-(3,4-(methylenedioxy)phenyl)- (6ci,7ci,8ci)
  • 3-buten-2-one, 4-[3,4-(methylenedioxy)phenyl]-
  • 4-(1,3-benzodioxol-5-yl)-3-buten-2-one
  • 4-(1,3-benzodioxol-5-yl)but-3-en-2-one
  • 4-(3,4-(methylenedioxy)phenyl)-2-butanone
  • 4-(3,4-(methylenedioxy)phenyl)-3-buten-2-one
  • 4-(3,4-methylenedioxyphenyl)but-3-en-2-one
  • 4-[3,4-(methylenedioxy)phenyl]-2-butanone
  • acetone, piperonylidene-
  • heliotropyl acetone
  • piperonal acetone
  • piperonalacetone
  • piperonyl acetone
  • piperonylidene acetone
  • piperonylideneacetone
CAS Number(s)
  • 3160-37-0
InChIKey XIYPXOFSURQTTJ-NSCUHMNNSA-N
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