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286425-40-9

286425-40-9 structural image
Product Name: PHENYLACETONITRILE-1,2-13C2
Formula: C8H7N
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COMPUTED DESCRIPTORS

Molecular Weight 119.13 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 119.064558898 g/mol
Monoisotopic Mass 119.064558898 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 114
Isotope Atom Count 2
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

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