Xanthurenic Acid

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Properties Simple | Detailed

Formula C10H16NO4+
IUPAC Name 8-hydroxy-4-oxo-3,5,6,7-tetrahydro-1h-quinoline-2,3,4a,5,6,7,8,8a-octaide-2-carboxylic acid
Molecular Mass 214.238 g·mol−1
Heat of Formation -524.1 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 217.35 Å 3
Surface Area 211.12 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-quinolinecarboxylic acid, 4,8-dihydroxy-
  • 2-quinolinecarboxylic acid, 4,8-dihydroxy- (9ci)
  • 4,8-dihydroxy-2-quinolinecarboxylic acid
  • 4,8-dihydroxyquinaldic acid
  • 4,8-dihydroxyquinaldinic acid
  • 4,8-dihydroxyquinoline-2-carboxylic acid
  • 8-hydroxy-4-keto-1h-quinoline-2-carboxylic acid
  • 8-hydroxy-4-oxo-1h-quinoline-2-carboxylic acid
  • 8-hydroxykynurenic acid
  • oprea1_107134
  • quinaldic acid, 4,8-dihydroxy-
  • sdccgmls-0066616.p001
  • xanthurenate
  • xanthuric acid
CAS Number(s)
  • 59-00-7
InChIKey FBZONXHGGPHHIY-UHFFFAOYSA-N
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