(1E)-4-Oxo-1-Butene-1,2,4-Tricarboxylic Acid

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Properties Simple | Detailed

Formula C7H6O7
IUPAC Name (e)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
Molecular Mass 202.118 g·mol−1
Heat of Formation -1177.2 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 212.29 Å 3
Surface Area 205.27 Å 2
HOMO Energy -10.72 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-ketobut-1-ene-1,2,4-tricarboxylic acid
  • (e)-4-oxobut-1-ene-1,2,4-tricarboxylate
  • (e)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
  • 1-butene-1,2,4-tricarboxylic acid, 4-oxo-, (e)-
  • 3-carboxy-5-oxo-2-hexenedioic acid
  • 4-ketobut-1-ene-1,2,4-tricarboxylic acid
  • 4-oxalmesaconic acid
  • 4-oxalomesaconate
  • 4-oxobut-1-ene-1,2,4-tricarboxylic acid
CAS Number(s)
  • 85179-60-8
InChIKey ODTDYYZJDQGKQT-NSCUHMNNSA-N
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