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85126-23-4

85126-23-4 structural image
Product Name: 1-(2-Hydroxyiminomethyl-1-pyridinio)-3-(4-isovaleryl-1-pyridinio)-2-ox apropane diiodide
Formula: C18H23N3O3.2I
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COMPUTED DESCRIPTORS

Molecular Weight 583.2 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 582.98289 g/mol
Monoisotopic Mass 582.98289 g/mol
Topological Polar Surface Area 66.6 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 426
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes