Kynurenic Acid

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Properties Simple | Detailed

Formula C10H16NO3+
IUPAC Name 4-oxo-1,3,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaide-2-carboxylic acid
Molecular Mass 198.239 g·mol−1
Heat of Formation -346.0 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 206.13 Å 3
Surface Area 202.1 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-quinolinecarboxylic acid, 4-hydroxy-
  • 4-hydroxy-2-quinolinecarboxylic acid
  • 4-hydroxyquinaldic acid
  • 4-hydroxyquinaldinic acid
  • 4-keto-1h-quinoline-2-carboxylic acid
  • 4-oxo-1h-quinoline-2-carboxylic acid
  • biomol-nt_000229
  • bpbio1_001350
  • kinurenic acid
  • kyna
  • kynurenate
  • kynuronic acid
  • oprea1_032085
  • pdsp1_000132
  • pdsp2_000131
  • quinaldic acid, 4-hydroxy-
  • quinaldic acid, 4-hydroxy- (8ci)
  • quinurenic acid
  • smp1_000172
  • tocris-0223
  • transtorine
  • ux00002048
CAS Number(s)
  • 13593-94-7
  • 492-27-3
InChIKey HCZHHEIFKROPDY-UHFFFAOYSA-N
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