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479064-96-5

479064-96-5 structural image
Product Name: Boc-(S)-3-Amino-3-(4-methylphenyl)propionic acid
Formula: C15H21NO4
Synonyms: (S)-3-(Boc-amino)-3-(4-methylphenyl)propionic acid;Boc-4-methyl-D-β-phenylalanine
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COMPUTED DESCRIPTORS

Molecular Weight 279.33 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 279.14705815 g/mol
Monoisotopic Mass 279.14705815 g/mol
Topological Polar Surface Area 75.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 340
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