Aurintricarboxylic Acid

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Properties Simple | Detailed

Formula C22H14O9
IUPAC Name 5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid
Molecular Mass 422.341 g·mol−1
Heat of Formation -1227.5 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 453.22 Å 3
Surface Area 389.09 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-cyclohexadiene-1-carboxylic acid, 3-(bis(3-carboxy-4-hydroxyphenyl)methylene)-6-oxo-
  • 13186-45-3 (trisodium)
  • 4431-00-9 (free acid)
  • 5,5'-(3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene)di(salicylic acid)
  • 5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxy-benzoic acid
  • 5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxy-benzoic acid
  • 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxybenzoic acid
  • 50979-16-3 (barium)
  • 569-58-4 (triammonium)
  • aluminon free acid
  • benzoic acid, 5-((3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-2-hydroxy-
  • benzoic acid, 5-[(3-carboxy-4-hydroxyphenyl) (3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-
  • dupont ata
  • dupont da 639 (sd-095345)
CAS Number(s)
  • 93480-02-5
InChIKey GIXWDMTZECRIJT-UHFFFAOYSA-N
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