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32379-42-3

32379-42-3 structural image
Product Name: 2-CYANOPROPAN-2-YL BENZOATE
Formula: C11H11NO2
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COMPUTED DESCRIPTORS

Molecular Weight 189.21 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 189.078978594 g/mol
Monoisotopic Mass 189.078978594 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 256
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