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115416-52-9

115416-52-9 structural image
Product Name: (S)-(-)-N-(5-NITRO-2-PYRIDYL)ALANINOL
Formula: C8H11N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 197.19 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 197.08004122 g/mol
Monoisotopic Mass 197.08004122 g/mol
Topological Polar Surface Area 91 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 195
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