6-Oxohexa-2,4-Dienoic Acid

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Properties Simple | Detailed

Formula C6H6O3
IUPAC Name (2e,4e)-6-oxohexa-2,4-dienoic acid
Molecular Mass 126.110 g·mol−1
Heat of Formation -379.5 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 153.52 Å 3
Surface Area 167.36 Å 2
HOMO Energy -10.59 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry Cs
Synonyms
  • (2e,4e)-6-ketohexa-2,4-dienoic acid
  • (2e,4e)-6-oxohexa-2,4-dienoic acid
  • 2,4-hexadienoic acid, 6-oxo-, (e,e)-
  • 6-ketohexa-2,4-dienoic acid
  • 6-oxo-2,4-hexadienoic acid (e,e)-
  • 6-oxo-trans,trans-2,4-hexadienoic acid
CAS Number(s)
  • 88973-46-0
InChIKey MGCBXZGOSMSZBJ-ZPUQHVIOSA-N
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Elements H C O