(3E,5Z)-6-(4-Chlorophenyl)-6-Hydroxy-2-Oxo-3,5-Hexadienoic Acid

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Properties Simple | Detailed

Formula C12H9ClO4
IUPAC Name (3e,5z)-6-(4-chlorophenyl)-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
Molecular Mass 252.650 g·mol−1
Heat of Formation -504.5 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 279.4 Å 3
Surface Area 273.06 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5z)-6-(4-chlorophenyl)-6-hydroxy-2-keto-hexa-3,5-dienoic acid
  • (3e,5z)-6-(4-chlorophenyl)-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
  • (3e,5z)-6-(4-chlorophenyl)-6-hydroxy-2-oxohexa-3,5-dienoic acid
  • 2,4-hexadienoic acid, 6-(4-chlorophenyl)-2-hydroxy-6-oxo-
  • 2-hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic acid
  • 6-(4-chlorophenyl)-6-hydroxy-2-keto-hexa-3,5-dienoic acid
  • 6-(4-chlorophenyl)-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
  • 6-(4-chlorophenyl)-6-hydroxy-2-oxohexa-3,5-dienoic acid
  • hoo(4-cb)hda
CAS Number(s)
  • 91254-62-5
InChIKey AIUXSVZNECQYBE-PGSNLPAFSA-N
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Elements H C O Cl