(2E,4E,6E,8E)-9-(4-Hydroxy-2,3,6-Trimethylphenyl)-3,7-Dimethyl-2,4,6,8-Nonatetraenoic Acid

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Formula C20H24O3
IUPAC Name (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
Molecular Mass 312.403 g·mol−1
Heat of Formation -441.2 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 406.81 Å 3
Surface Area 372.14 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
  • 2,4,6,8-nonatetraenoic acid, 9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (all-e)-
  • 9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid
  • ro 12-7310
CAS Number(s)
  • 65316-65-6
InChIKey CAAFTBWHFUPDGX-OFCLTBKTSA-N
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