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

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Properties Simple | Detailed

Formula C6H6O4
IUPAC Name (3e,5e)-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
Molecular Mass 142.109 g·mol−1
Heat of Formation -563.0 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 163.45 Å 3
Surface Area 175.25 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry Cs
Synonyms
  • (3e,5e)-6-hydroxy-2-keto-hexa-3,5-dienoic acid
  • (3e,5e)-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
  • (3e,5e)-6-hydroxy-2-oxohexa-3,5-dienoic acid
  • 2-hydroxy-6-oxohexa-2,4-dienoic acid
  • 2-hydroxymuconate semialdehyde
  • 2-hydroxymuconic semialdehyde
  • 6-hydroxy-2-keto-hexa-3,5-dienoic acid
  • 6-hydroxy-2-oxo-hexa-3,5-dienoic acid
  • 6-hydroxy-2-oxohexa-3,5-dienoic acid
CAS Number(s)
  • 3270-98-2
InChIKey MTOBWJUHQXQURZ-ZPUQHVIOSA-N
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