(3S,8S,9Z)-1,9,16-Heptadecatriene-4,6-Diyne-3,8-Diol

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Properties Simple | Detailed

Formula C17H22O2
IUPAC Name (3s,8s,9z)-heptadeca-1,9,16-trien-4,6-diyne-3,8-diol
Molecular Mass 258.355 g·mol−1
Heat of Formation 140.4 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 363.09 Å 3
Surface Area 304.17 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9z)-heptadeca-1,9,16-trien-4,6-diyne-3,8-diol
  • 1,9,16-heptadecatriene-4,6-diyne-3,8-diol
CAS Number(s)
  • 63898-22-6
InChIKey OLUQMFYBNOJBQQ-RCQSYPNMSA-N
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