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864779-05-5 | 8-Quinolinecarbonitrile, 2-methyl-
CAS No: 864779-05-5 Catalog No: AG00IE3D MDL No:
Product Description
Catalog Number:
AG00IE3D
Chemical Name:
8-Quinolinecarbonitrile, 2-methyl-
CAS Number:
864779-05-5
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
2-methylquinoline-8-carbonitrile
InChI:
InChI=1S/C11H8N2/c1-8-5-6-9-3-2-4-10(7-12)11(9)13-8/h2-6H,1H3
InChI Key:
PXSYPFUYZMSQMH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1nc(C)cc2
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:
2.4
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