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854864-06-5 | 4-Quinolinecarbonitrile,7-methyl-
CAS No: 854864-06-5 Catalog No: AG004S4N MDL No:
Product Description
Catalog Number:
AG004S4N
Chemical Name:
4-Quinolinecarbonitrile,7-methyl-
CAS Number:
854864-06-5
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
7-methylquinoline-4-carbonitrile
InChI:
InChI=1S/C11H8N2/c1-8-2-3-10-9(7-12)4-5-13-11(10)6-8/h2-6H,1H3
InChI Key:
IWISKXUDUOIEOM-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc2c1ccc(c2)C
Properties
Complexity:
228
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:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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