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120885-48-5

120885-48-5 structural image
Product Name: ETHYL 2-CYANO-2-(4-CYANOPHENYL)ACETATE
Formula: C12H10N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 214.22 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 214.074227566 g/mol
Monoisotopic Mass 214.074227566 g/mol
Topological Polar Surface Area 73.9 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 339
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes