3-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-4-Hydroxy-5-(3-Methyl-2-Buten-1-Yl)Benzoic Acid

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Properties Simple | Detailed

Formula C22H30O3
IUPAC Name 3-[(2e)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-5-(3-methylbut-2-enyl)benzoic acid
Molecular Mass 342.472 g·mol−1
Heat of Formation -603.1 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 458.41 Å 3
Surface Area 348.02 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2e)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-5-(3-methylbut-2-enyl)benzoic acid
  • acon1_001406
  • megxp0_001373
InChIKey SUXGLLRPXXXJER-LICLKQGHSA-N
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