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20704-71-6

20704-71-6 structural image
Product Name: 2-AMINO-3-(4-HYDROXY-3,5-DIIODOPHENYL)PROPANOIC ACID HYDRATE
Formula: C9H9I2NO2
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COMPUTED DESCRIPTORS

Molecular Weight 416.98 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 416.87227 g/mol
Monoisotopic Mass 416.87227 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 203
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes