4-{2-[(2Z,5Z,8Z)-2,5,8-Tetradecatrien-1-Yl]Phenyl}Butanoic Acid

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Properties Simple | Detailed

Formula C24H34O2
IUPAC Name 4-[2-[(2z,5z,8z)-tetradeca-2,5,8-trienyl]phenyl]butanoic acid
Molecular Mass 354.526 g·mol−1
Heat of Formation -409.1 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 490.26 Å 3
Surface Area 358.55 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[(2z,5z,8z)-tetradeca-2,5,8-trienyl]phenyl]butanoic acid
  • 4-[2-[(2z,5z,8z)-tetradeca-2,5,8-trienyl]phenyl]butyric acid
  • 5,6-benzoarachidonic acid
  • benzenebutanoic acid, 2-(2,5,8-tetradecatrienyl)-, (z,z,z)-
CAS Number(s)
  • 85924-33-0
InChIKey SCEMGBQAHRNYRD-QNEBEIHSSA-N
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