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1215092-14-0

1215092-14-0 structural image
Product Name: α-Me-Phe(3-NO<sub>2<sub>)-OH·H<sub>2<sub>O
Formula: C10H12N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 224.21 g/mol
XLogP3 -1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 224.07970687 g/mol
Monoisotopic Mass 224.07970687 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 289
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