(2Z,5E)-2-Hydroxy-4-Oxo-2,5-Heptadienedioic Acid

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Properties Simple | Detailed

Formula C7H6O6
IUPAC Name (2z,5e)-2-hydroxy-4-oxo-hepta-2,5-dienedioic acid
Molecular Mass 186.119 g·mol−1
Heat of Formation -944.7 ± 16.7 kJ·mol−1
Dipole Moment 0.60 ± 1.08 D
Volume 196.61 Å 3
Surface Area 204.27 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry Cs
Synonyms
  • (2z,5e)-2-hydroxy-4-keto-hepta-2,5-dienedioic acid
  • (2z,5e)-2-hydroxy-4-oxo-hepta-2,5-dienedioic acid
  • (2z,5e)-2-hydroxy-4-oxohepta-2,5-dienedioic acid
  • (5e)-2-hydroxy-4-keto-hepta-2,5-dienedioic acid
  • (5e)-2-hydroxy-4-oxo-hepta-2,5-dienedioic acid
  • (5e)-2-hydroxy-4-oxohepta-2,5-dienedioic acid
  • (z,e)-4-hydroxy-6-oxo-2,4-heptadienedioic acid
  • 2,4-dioxohept-5-enedioic acid
  • 2,4-heptadienedioic acid, 4-hydroxy-6-oxo-, (z,e)-
CAS Number(s)
  • 140866-22-4
InChIKey BDELIVZMHJIBBD-WFTYEQLWSA-N
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