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74316-57-7 | 5-Quinolinecarbonitrile, 8-methyl-
CAS No: 74316-57-7 Catalog No: AG008QGS MDL No:
Product Description
Catalog Number:
AG008QGS
Chemical Name:
5-Quinolinecarbonitrile, 8-methyl-
CAS Number:
74316-57-7
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
8-methylquinoline-5-carbonitrile
InChI:
InChI=1S/C11H8N2/c1-8-4-5-9(7-12)10-3-2-6-13-11(8)10/h2-6H,1H3
InChI Key:
NXNVSODDFDVEAH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccn2)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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