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75279-58-2

75279-58-2 structural image
Product Name: 2,4,5-TRIMETHYLPHENYLACETONITRILE
Formula: C11H13N
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COMPUTED DESCRIPTORS

Molecular Weight 159.23 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 159.104799419 g/mol
Monoisotopic Mass 159.104799419 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 12
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