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270065-83-3

270065-83-3 structural image
Product Name: BOC-(S)-3-AMINO-4-(2-CYANO-PHENYL)-BUTYRIC ACID
Formula: C16H20N2O4
Synonyms: (S)-3-(Boc-amino)-4-(2-cyanophenyl)butyric acid;Boc-2-cyano-L-β-homophenylalanine
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COMPUTED DESCRIPTORS

Molecular Weight 304.34 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 304.14230712 g/mol
Monoisotopic Mass 304.14230712 g/mol
Topological Polar Surface Area 99.4 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 447
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