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868679-50-9

868679-50-9 structural image
Product Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate
Formula: C14H12N2O5
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >43.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 288.25 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 288.07462149 g/mol
Monoisotopic Mass 288.07462149 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 544
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