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478043-90-2

478043-90-2 structural image
Product Name: N-(4-CYANO-3-METHYL-5-ISOXAZOLYL)-4-METHYLBENZENECARBOXAMIDE
Formula: C13H11N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 241.24 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 241.085126602 g/mol
Monoisotopic Mass 241.085126602 g/mol
Topological Polar Surface Area 78.9 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 355
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