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1333564-12-7

1333564-12-7 structural image
Product Name: Methanone, (2-hydroxy-5-methoxyphenyl)[1-(3-nitrophenyl)-1H-pyrazol-4-yl]-
Formula: C17H13N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 339.30 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 339.08552052 g/mol
Monoisotopic Mass 339.08552052 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 497
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