Benzeneacetonitrile, 2,3,5,6-tetramethyl-


Chemical Name: Benzeneacetonitrile, 2,3,5,6-tetramethyl-
CAS Number: 14611-44-0
Product Number: AG001DPD(AGN-PC-0KKO26)
Synonyms:
MDL No:
Molecular Formula: C12H15N
Molecular Weight: 173.2542

Identification/Properties


Computed Properties
Molecular Weight:
173.259g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
173.12g/mol
Monoisotopic Mass:
173.12g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
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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