Home Nitriles 3-oxo-3-(quinolin-6-yl)propanenitrile

3-oxo-3-(quinolin-6-yl)propanenitrile

CAS No.:
249937-48-2
Catalog Number:
AG01BH9V
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
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Product Description
Catalog Number:
AG01BH9V
Chemical Name:
3-oxo-3-(quinolin-6-yl)propanenitrile
CAS Number:
249937-48-2
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD01570559
IUPAC Name:
3-oxo-3-quinolin-6-ylpropanenitrile
InChI:
InChI=1S/C12H8N2O/c13-6-5-12(15)10-3-4-11-9(8-10)2-1-7-14-11/h1-4,7-8H,5H2
InChI Key:
FEDPKBUOSHROCN-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc2c(c1)cccn2
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties