Coriandrol Acetate

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Properties Simple | Detailed

Formula C12H20O2
IUPAC Name [(1s)-1,5-dimethyl-1-vinyl-hex-4-enyl] acetate
Molecular Mass 196.286 g·mol−1
Heat of Formation -427.2 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 276.26 Å 3
Surface Area 251.62 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 3.94 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s)-1,5-dimethyl-1-vinyl-hex-4-enyl] acetate
  • [(3s)-3,7-dimethylocta-1,6-dien-3-yl] acetate
  • [(3s)-3,7-dimethylocta-1,6-dien-3-yl] ethanoate
  • acetic acid [(1s)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester
  • acetic acid [(1s)-1,5-dimethyl-1-vinylhex-4-enyl] ester
InChIKey UWKAYLJWKGQEPM-GFCCVEGCSA-N
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