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

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Properties Simple | Detailed

Formula C6H5ClO4
IUPAC Name (3e,5z)-5-chloro-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
Molecular Mass 176.554 g·mol−1
Heat of Formation -578.0 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 186.55 Å 3
Surface Area 192.5 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5z)-5-chloro-6-hydroxy-2-keto-hexa-3,5-dienoic acid
  • (3e,5z)-5-chloro-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
  • (3e,5z)-5-chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid
  • 5-chloro-6-hydroxy-2-keto-hexa-3,5-dienoic acid
  • 5-chloro-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
  • 5-chloro-6-hydroxy-2-oxohexa-3,5-dienoic acid
CAS Number(s)
  • 6918-01-0
InChIKey MKQLZCILXXKHEB-XLFBNKDWSA-N
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Elements H C O Cl