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5336-57-2

5336-57-2 structural image
Product Name: 2-Ethyl-2-phenylbutyronitrile
Formula: C12H15N
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COMPUTED DESCRIPTORS

Molecular Weight 173.25 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 173.120449483 g/mol
Monoisotopic Mass 173.120449483 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 188
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