3-(4-Hydroxy-3,5-Diiodophenyl)-2-Oxopropanoic Acid

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Properties Simple | Detailed

Formula C9H6I2O4
IUPAC Name 3-(4-hydroxy-3,5-diiodo-phenyl)-2-oxo-propanoic acid
Molecular Mass 431.950 g·mol−1
Heat of Formation -422.8 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 285.48 Å 3
Surface Area 264.06 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (3,5-diiodo-4-hydroxyphenyl)pyruvic acid
  • 3,5-diiodo-4-hydroxyphenylpyruvate
  • 3-(3,5-diiodo-4-hydroxyphenyl)pyruvate
  • 3-(3,5-diiodo-4-hydroxyphenyl)pyruvic acid
  • 3-(4-hydroxy-3,5-diiodo-phenyl)-2-keto-propionic acid
  • benzenepropanoic acid, 4-hydroxy-3,5-diiodo-alpha-oxo-
  • beta-(3,5-diiodo-4-hydroxyphenyl)pyruvate
  • hydroxydiiodophenylpyruvic acid
CAS Number(s)
  • 780-00-7
InChIKey TZPLBTUUWSVGCY-UHFFFAOYSA-N
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