1,2,3-Trimethoxy-5-[(1E)-1-Propenyl]Benzene

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Properties Simple | Detailed

Formula C12H16O3
IUPAC Name 1,2,3-trimethoxy-5-[(e)-prop-1-enyl]benzene
Molecular Mass 208.254 g·mol−1
Heat of Formation -344.4 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 266.49 Å 3
Surface Area 255.47 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-1,2,3-trimethoxy-5-propenylbenzene
  • 1,2,3-trimethoxy-5-[(e)-prop-1-enyl]benzene
  • 1,2,3-trimethoxy-5-prop-1-enyl-benzene
  • 1,2,3-trimethoxy-5-prop-1-enylbenzene
  • benzene, 1,2,3-trimethoxy-5-(1-propenyl)-
  • benzene, 1,2,3-trimethoxy-5-(1-propenyl)-, (e)-
  • benzene, 1,2,3-trimethoxy-5-propenyl-, (z)-
  • isoelemicin
  • trans-isoelemicine
CAS Number(s)
  • 487-12-7
  • 5273-85-8
InChIKey RRXOQHQFJOQLQR-AATRIKPKSA-N
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