3-Chloro-5-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-4,6-Dihydroxy-2-Methylbenzaldehyde

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Properties Simple | Detailed

Formula C18H23ClO3
IUPAC Name 5-chloro-3-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde
Molecular Mass 322.826 g·mol−1
Heat of Formation -538.0 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 411.22 Å 3
Surface Area 322.77 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-3-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde
  • 5-chloro-3-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
  • benzaldehyde, 3-chloro-5-(3,7-dimethyl-2,6-octadienyl)-4,6-dihydroxy-2-methyl-, (e)-
  • colletochlorin b
CAS Number(s)
  • 83324-48-5
InChIKey UEUMAXMCCDEOIJ-XYOKQWHBSA-N
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