Home Nitriles Benzeneacetonitrile, 3-cyano-

Benzeneacetonitrile, 3-cyano-

CAS No.:
16532-78-8
Catalog Number:
AG001W36
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
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Product Description
Catalog Number:
AG001W36
Chemical Name:
Benzeneacetonitrile, 3-cyano-
CAS Number:
16532-78-8
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00060301
IUPAC Name:
3-(cyanomethyl)benzonitrile
InChI:
InChI=1S/C9H6N2/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6H,4H2
InChI Key:
OQKZSMMMKYJQJP-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)C#N
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties