(3E,5E)-5-Chloro-6-Hydroxy-2-Oxo-3,5-Hexadienoic Acid

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Properties Simple | Detailed

Formula C6H5ClO4
IUPAC Name (3e,5e)-5-chloro-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
Molecular Mass 176.554 g·mol−1
Heat of Formation -580.0 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 184.74 Å 3
Surface Area 190.7 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5e)-5-chloro-6-hydroxy-2-keto-hexa-3,5-dienoic acid
  • (3e,5e)-5-chloro-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
  • (3e,5e)-5-chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid
  • 2,4-hexadienoic acid, 5-chloro-2-hydroxy-6-oxo-
  • 2-hydroxy-5-chloromuconic acid semialdehyde
CAS Number(s)
  • 76260-73-6
InChIKey MKQLZCILXXKHEB-MVJNYCIBSA-N
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Elements H C O Cl