3-[(2,4-Dimethoxy-6-Pentylbenzoyl)Oxy]-2,4-Dihydroxy-6-Pentylbenzoic Acid

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Properties Simple | Detailed

Formula C26H34O8
IUPAC Name 3-(2,4-dimethoxy-6-pentyl-benzoyl)oxy-2,4-dihydroxy-6-pentyl-benzoic acid
Molecular Mass 474.543 g·mol−1
Heat of Formation -1453.5 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 571.78 Å 3
Surface Area 470.79 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2,4-dimethoxy-6-pentyl-phenyl)carbonyloxy-2,4-dihydroxy-6-pentyl-benzoic acid
  • 3-(2,4-dimethoxy-6-pentylbenzoyl)oxy-2,4-dihydroxy-6-pentylbenzoic acid
  • 3-[(2,4-dimethoxy-6-pentylphenyl)-oxomethoxy]-2,4-dihydroxy-6-pentylbenzoic acid
  • 4-o-methylcryptochlorophaeic acid
  • 6-amyl-3-(2-amyl-4,6-dimethoxy-benzoyl)oxy-2,4-dihydroxy-benzoic acid
  • benzoic acid, 3-((2,4-dimethoxy-6-pentylbenzoyl)oxy)-2,4-dihydroxy-6-pentyl-
CAS Number(s)
  • 27587-68-4
InChIKey LWJWHWGMUBQMKG-UHFFFAOYSA-N
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