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111047-53-1

111047-53-1 structural image
Product Name: METHYL N-P-TOLUENESULFONYL-D-2-PHENYLGLYCINATE
Formula: C16H17NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 319.4 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 319.08782920 g/mol
Monoisotopic Mass 319.08782920 g/mol
Topological Polar Surface Area 80.8 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 457
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