Chelidamic Acid

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Properties Simple | Detailed

Formula C7H5NO5
IUPAC Name 4-oxopiperidine-2,3,5,6-tetraide-2,6-dicarboxylic acid
Molecular Mass 183.118 g·mol−1
Heat of Formation -746.0 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 187.45 Å 3
Surface Area 189.66 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.65 ± eV
Point Group Symmetry C2v
Synonyms
  • 1,4-dihydro-4-oxopyridine-2,6-dicarboxylic acid
  • 2,6-pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-
  • 2,6-pyridinedicarboxylic acid, 1,4-dihydro-4-oxo- (8ci)(9ci)
  • 4-keto-1h-pyridine-2,6-dicarboxylic acid
  • 4-oxo-1h-pyridine-2,6-dicarboxylic acid
  • ag-205/04716036
  • bb_nc-0408
CAS Number(s)
  • 138-60-3
InChIKey XTLJJHGQACAZMS-UHFFFAOYSA-N
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