Trans-Isosafrole

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Properties Simple | Detailed

Formula C10H10O2
IUPAC Name 5-[(e)-prop-1-enyl]-1,3-benzodioxole
Molecular Mass 162.185 g·mol−1
Heat of Formation -144.5 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 196.55 Å 3
Surface Area 198.54 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-isosafrole
  • 1,2-methylenedioxy-4-propenylbenzene
  • 1,3-benzodioxole, 5-(1-propenyl)-, (e)-
  • 3,4-methylenedioxy-1-propenyl benzene
  • 5-[(1e)-prop-1-en-1-yl]-1,3-benzodioxole
  • 5-[(e)-prop-1-enyl]-1,3-benzodioxole
  • 5-prop-1-en-1-yl-1,3-benzodioxole
  • 5-prop-1-enyl-1,3-benzodioxole
  • benzene, 1,2-(methylenedioxy)-4-propenyl-, (e)-
  • beta-isosafrole
  • chemdiv2_001446
  • isosafrol (cis?)
  • isosafrole
  • isosafrole (tgmx)
  • sdccgmls-0066561.p001
  • trans-1,2-(methylenedioxy)-4-propenylbenzene
CAS Number(s)
  • 4043-71-4
  • 120-58-1
  • 191281-03-5
InChIKey VHVOLFRBFDOUSH-NSCUHMNNSA-N
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