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507472-24-4

507472-24-4 structural image
Product Name: FMOC-(S)-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID
Formula: C25H20N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 412.4 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 412.14230712 g/mol
Monoisotopic Mass 412.14230712 g/mol
Topological Polar Surface Area 99.4 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 671
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