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649557-55-1

649557-55-1 structural image
Product Name: ethyl 4-(4-cyanophenyl)-2,4-dioxobutanoate
Formula: C13H11NO4
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COMPUTED DESCRIPTORS

Molecular Weight 245.23 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 245.06880783 g/mol
Monoisotopic Mass 245.06880783 g/mol
Topological Polar Surface Area 84.2 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 385
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