Cis-Isosafrole

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Properties Simple | Detailed

Formula C10H10O2
IUPAC Name 5-[(z)-prop-1-enyl]-1,3-benzodioxole
Molecular Mass 162.185 g·mol−1
Heat of Formation -142.1 ± 16.7 kJ·mol−1
Dipole Moment 0.75 ± 1.08 D
Volume 197.11 Å 3
Surface Area 194.02 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-5-(propen-1-yl)-1,3-benzodioxole
  • 1,2-(methylenedioxy)-4-propenylbenzene
  • 1,3-benzodioxole, 5-(1-propenyl)-
  • 1,3-benzodioxole, 5-(1-propenyl)-, (z)-
  • 3,4-(methylenedioxy)-1-propenylbenzene
  • 4-propenyl-1,2-methylenedioxybenzene
  • 4-propenylcatechol methylene ether
  • 5-(1-propenyl)-1,3-benzodioxole
  • 5-[(z)-prop-1-enyl]-1,3-benzodioxole
  • 6-(1-propenyl)-1,3-benzodioxole
  • alpha-isosafrole
  • benzene, 1,2-(methylenedioxy)-4-propenyl-
  • benzene, 1,2-(methylenedioxy)-4-propenyl-, (z)-
  • cis-1,2-(methylenedioxy)-4-propenylbenzene
  • izosafrol
CAS Number(s)
  • 17627-76-8
InChIKey VHVOLFRBFDOUSH-IHWYPQMZSA-N
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