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1189492-36-1

1189492-36-1 structural image
Product Name: 1-METHYL-3-(3'-PYRIDYLCARBONYL-1,2',3',4',5',6'-13C6)-PYRROLIDINONE
Formula: C11H12N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 210.18 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 210.11000664 g/mol
Monoisotopic Mass 210.11000664 g/mol
Topological Polar Surface Area 50.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 278
Isotope Atom Count 6
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes