Benzonitrile, 2,5-dimethyl-


Chemical Name: Benzonitrile, 2,5-dimethyl-
CAS Number: 13730-09-1
Product Number: AG00132W(AGN-PC-0JLUPA)
Synonyms:
MDL No:
Molecular Formula: C9H9N
Molecular Weight: 131.1745

Identification/Properties


Computed Properties
Molecular Weight:
131.178g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
131.073g/mol
Monoisotopic Mass:
131.073g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
153
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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