2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile


Chemical Name: 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile
CAS Number: 120511-72-0
Product Number: AG00HFHX(AGN-PC-00R8FQ)
Synonyms:
MDL No:
Molecular Formula: C15H18N2
Molecular Weight: 226.3168

Identification/Properties


Computed Properties
Molecular Weight:
226.323g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
226.147g/mol
Monoisotopic Mass:
226.147g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
338
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

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NMR Spectrum


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