4-[(2-Hydroxy-4-Methoxy-6-Pentylbenzoyl)Oxy]-2-Methoxy-6-Pentylbenzoic Acid

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Properties Simple | Detailed

Formula C26H34O7
IUPAC Name 4-(2-hydroxy-4-methoxy-6-pentyl-benzoyl)oxy-2-methoxy-6-pentyl-benzoic acid
Molecular Mass 458.544 g·mol−1
Heat of Formation -1289.7 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 567.82 Å 3
Surface Area 460.98 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-o-methylperlatolic acid
  • 2-amyl-4-(2-amyl-6-hydroxy-4-methoxy-benzoyl)oxy-6-methoxy-benzoic acid
  • 4-(2-hydroxy-4-methoxy-6-pentyl-phenyl)carbonyloxy-2-methoxy-6-pentyl-benzoic acid
  • 4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid
  • 4-[(2-hydroxy-4-methoxy-6-pentylphenyl)-oxomethoxy]-2-methoxy-6-pentylbenzoic acid
  • benzoic acid, 2-hydroxy-4-methoxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester
CAS Number(s)
  • 38968-07-9
InChIKey BSTCIRYEMDTNQT-UHFFFAOYSA-N
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