5-[Bis(3-Carboxy-4-Hydroxyphenyl)Methyl]-3-(3-Carboxy-4-Hydroxybenzyl)-2-Hydroxybenzoic Acid

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Properties Simple | Detailed

Formula C30H22O12
IUPAC Name 5-[bis(3-carboxy-4-hydroxy-phenyl)methyl]-3-[(3-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid
Molecular Mass 574.488 g·mol−1
Heat of Formation -1894.8 ± 16.7 kJ·mol−1
Dipole Moment 7.44 ± 1.08 D
Volume 634.53 Å 3
Surface Area 487.73 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[bis(3-carboxy-4-hydroxy-phenyl)methyl]-3-(3-carboxy-4-hydroxy-benzyl)-2-hydroxy-benzoic acid
  • 5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
  • a-12
InChIKey OIUUAHLYVPJPTC-UHFFFAOYSA-N
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Elements H C O