2-{[2-(3-Acetamido-2,4,6-Triiodophenoxy)Ethoxy]Methyl}Butanoic Acid

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Properties Simple | Detailed

Formula C15H18I3NO5
IUPAC Name (2r)-2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxymethyl]butanoic acid
Molecular Mass 673.021 g·mol−1
Heat of Formation -642.5 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 485.74 Å 3
Surface Area 395.66 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey YMFIJXDFAPHJIN-SECBINFHSA-N
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