(9E,12E,15E)-9,12,15-Octadecatrien-6-Ynoic Acid

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Properties Simple | Detailed

Formula C18H26O2
IUPAC Name (9e,12e,15e)-octadeca-9,12,15-trien-6-ynoic acid
Molecular Mass 274.398 g·mol−1
Heat of Formation -196.8 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 409.83 Å 3
Surface Area 341.23 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (9e,12e,15e)-octadeca-9,12,15-trien-6-ynoic acid
  • 9,12,15-octadecatrien-6-ynoic acid
  • dicranin
CAS Number(s)
  • 61481-30-9
InChIKey UXMMIMGEKFYPFK-IUQGRGSQSA-N
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