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1381947-79-0

1381947-79-0 structural image
Product Name: BOC-(+/-)-TRANS-4-(3-IODOPHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
Formula: C16H20INO4
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COMPUTED DESCRIPTORS

Molecular Weight 417.24 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 417.04371 g/mol
Monoisotopic Mass 417.04371 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 434
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes