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339097-11-9

339097-11-9 structural image
Product Name: ETHYL 3-CYANO-4-(DIMETHYLAMINO)-2-OXO-3-BUTENOATE
Formula: C9H12N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 196.20 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 196.08479225 g/mol
Monoisotopic Mass 196.08479225 g/mol
Topological Polar Surface Area 70.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 309
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