4-Oxalocrotonic Acid

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Properties Simple | Detailed

Formula C6H6O5
IUPAC Name (e)-5-oxohex-2-enedioic acid
Molecular Mass 158.109 g·mol−1
Heat of Formation -822.0 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 175.0 Å 3
Surface Area 184.96 Å 2
HOMO Energy -10.93 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-5-ketohex-2-enedioic acid
  • (e)-5-oxohex-2-enedioic acid
  • 2-hexenedioic acid, 5-oxo-
  • 5-ketohex-2-enedioic acid
  • 5-oxohex-2-enedioic acid
  • oxalocrotonate
CAS Number(s)
  • 31540-68-8
InChIKey OOEDHTCVMHDXRH-HNQUOIGGSA-N
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