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

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Properties Simple | Detailed

Formula C25H32O7
IUPAC Name 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentyl-benzoyl)oxy-6-pentyl-benzoate
Molecular Mass 444.517 g·mol−1
Heat of Formation -594.6 ± 16.7 kJ·mol−1
Dipole Moment 48.26 ± 1.08 D
Volume 547.99 Å 3
Surface Area 443.75 Å 2
HOMO Energy -6.92 ± 0.55 eV
LUMO Energy -3.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amyl-4-(2-amyl-6-hydroxy-4-methoxy-benzoyl)oxy-6-hydroxy-benzoic acid
  • 2-hydroxy-4-((2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy)-6-pentylbenzoic acid
  • 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentyl-phenyl)carbonyloxy-6-pentyl-benzoic acid
  • 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid
  • 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylphenyl)-oxomethoxy]-6-pentylbenzoic acid
  • beta-resorcylic acid, 6-pentyl-, 4-(2-hydroxy-6-pentyl-p-anisate)
  • perlatolic acid
  • perlatolinic acid
CAS Number(s)
  • 529-47-5
InChIKey UTAQXQVSEKIWBB-UHFFFAOYSA-N
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