α-Calendic Acid

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Properties Simple | Detailed

Formula C18H30O2
IUPAC Name (8e,10e,12z)-octadeca-8,10,12-trienoic acid
Molecular Mass 278.430 g·mol−1
Heat of Formation -489.8 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 399.74 Å 3
Surface Area 331.63 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (8e,10e,12z)-octadeca-8,10,12-trienoic acid
  • 8e,10e,12z-octadecatrienoic acid
  • calendic acid
  • lmfa01030144
  • trans-8, trans-10, cis-12-octadecatrienoic acid
CAS Number(s)
  • 5204-87-5
InChIKey DQGMPXYVZZCNDQ-KBPWROHVSA-N
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DOI
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Elements H C O