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338960-10-4

338960-10-4 structural image
Product Name: ETHYL 3-CYANO-4-(3,5-DIMETHYLANILINO)-2-OXO-3-BUTENOATE
Formula: C15H16N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 272.30 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 272.11609238 g/mol
Monoisotopic Mass 272.11609238 g/mol
Topological Polar Surface Area 79.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 437
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes