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372156-99-5

372156-99-5 structural image
Product Name: 2,4-DIMETHYLPYRIDINE-3-CARBOXYLIC ACID N-OXIDE
Formula: C8H9NO3
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COMPUTED DESCRIPTORS

Molecular Weight 167.16 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 167.058243149 g/mol
Monoisotopic Mass 167.058243149 g/mol
Topological Polar Surface Area 62.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 183
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes