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80749-18-4

80749-18-4 structural image
Product Name: (E)-2-((5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl)benzoic acid
Formula: C15H12N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 312.28 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 312.08585488 g/mol
Monoisotopic Mass 312.08585488 g/mol
Topological Polar Surface Area 126 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 683
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