3-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-2,4-Dihydroxy-6-Pentylbenzoic Acid

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Properties Simple | Detailed

Formula C22H32O4
IUPAC Name 3-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentyl-benzoic acid
Molecular Mass 360.487 g·mol−1
Heat of Formation -846.3 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 491.75 Å 3
Surface Area 391.47 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentylbenzoic acid
  • 3-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentyl-benzoic acid
  • 6-amyl-3-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-benzoic acid
  • benzoic acid, 3-(3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentyl-, (e)-
  • cannabigerolic acid
  • ks-0035
CAS Number(s)
  • 25555-57-1
InChIKey SEEZIOZEUUMJME-FOWTUZBSSA-N
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