2-[(5S,8S,8As)-3,8-Dimethyl-1,2,4,5,6,7,8,8A-Octahydro-5-Azulenyl]Acrylic Acid

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Formula C15H22O2
IUPAC Name 2-[(5s,8s,8as)-3,8-dimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid
Molecular Mass 234.334 g·mol−1
Heat of Formation -419.3 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 312.7 Å 3
Surface Area 264.48 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(5s,8s,8as)-3,8-dimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]acrylic acid
  • 2-[(5s,8s,8as)-3,8-dimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid
  • 5-azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-alpha-methylene-, (5s-(5alpha,8beta,8aalpha))-
  • aciphyllic acid
CAS Number(s)
  • 57110-46-0
InChIKey HEIJYTOSZVGQPT-XDTLVQLUSA-N
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