Home Nitriles 2-Quinolineacetonitrile

2-Quinolineacetonitrile

CAS No.:
14068-28-1
Catalog Number:
AG001COS
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
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Product Description
Catalog Number:
AG001COS
Chemical Name:
2-Quinolineacetonitrile
CAS Number:
14068-28-1
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
2-quinolin-2-ylacetonitrile
InChI:
InChI=1S/C11H8N2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7H2
InChI Key:
UNFOICLZNBECOR-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(n1)cccc2
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties