(2E)-2-[3-(Butyrylamino)-2,4,6-Triiodobenzylidene]Butanoic Acid

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Properties Simple | Detailed

Formula C15H16I3NO3
IUPAC Name (2e)-2-[[3-(butanoylamino)-2,4,6-triiodo-phenyl]methylene]butanoic acid
Molecular Mass 639.006 g·mol−1
Heat of Formation -307.0 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 453.18 Å 3
Surface Area 366.45 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-[[2,4,6-triiodo-3-(1-oxobutylamino)phenyl]methylene]butanoic acid
  • (2e)-2-[[3-(butanoylamino)-2,4,6-triiodo-phenyl]methylene]butanoic acid
  • (2e)-2-[[3-(butanoylamino)-2,4,6-triiodo-phenyl]methylidene]butanoic acid
  • (e)-3-(3-butyramido-2,4,6-triiodo-phenyl)-2-ethyl-acrylic acid
  • 2-(3-butyramido-3,4,6-triiodophenylmethylene)butyric acid
  • 3-(3-butylamido-2,4,6-triiodphenyl)-2-ethylacrylsaeure
  • bunamijodylum
  • bunamiodyl
  • buniodyl
  • butanoic acid, 2-((2,4,6-triiodo-3-((1-oxobutyl)amino)phenyl)methylene)-
InChIKey CWRBDUIQDIHWJZ-SOFGYWHQSA-N
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