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59031-34-4

59031-34-4 structural image
Product Name: Acetic acid, 2-[4-(2,2-dicyanoethenyl)phenoxy]-
Formula: C12H8N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 228.20 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 228.05349212 g/mol
Monoisotopic Mass 228.05349212 g/mol
Topological Polar Surface Area 94.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 384
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