Elemicin

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Properties Simple | Detailed

Formula C12H16O3
IUPAC Name 5-allyl-1,2,3-trimethoxy-benzene
Molecular Mass 208.254 g·mol−1
Heat of Formation -326.5 ± 16.7 kJ·mol−1
Dipole Moment 1.17 ± 1.08 D
Volume 272.01 Å 3
Surface Area 254.53 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3-trimethoxy-5-(2-propenyl)benzene
  • 1,2,3-trimethoxy-5-prop-2-enyl-benzene
  • 1,2,3-trimethoxy-5-prop-2-enylbenzene
  • 3,4,5-trimethoxyallylbenzene
  • 5-allyl-1,2,3-trimethoxybenzene
  • benzene, 1,2,3-trimethoxy-5-(2-propenyl)-
  • benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9ci)
  • benzene, 5-allyl-1,2,3-trimethoxy-
CAS Number(s)
  • 487-11-6
InChIKey BPLQKQKXWHCZSS-UHFFFAOYSA-N
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