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129488-73-9

129488-73-9 structural image
Product Name: methyl 4-(2-cyanopropan-2-yl)benzoate
Formula: C12H13NO2
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COMPUTED DESCRIPTORS

Molecular Weight 203.24 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 203.094628657 g/mol
Monoisotopic Mass 203.094628657 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 279
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