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1219413-86-1

1219413-86-1 structural image
Product Name: H-DL-Phe(4-NO2)-OH·H2O
Formula: C9H12N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 228.20 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 228.07462149 g/mol
Monoisotopic Mass 228.07462149 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 243
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes