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72594-76-4 | 3-Quinolinecarbonitrile, 1,4-dihydro-1-methyl-
CAS No: 72594-76-4 Catalog No: AG0063JH MDL No:
Product Description
Catalog Number:
AG0063JH
Chemical Name:
3-Quinolinecarbonitrile, 1,4-dihydro-1-methyl-
CAS Number:
72594-76-4
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
1-methyl-4H-quinoline-3-carbonitrile
InChI:
InChI=1S/C11H10N2/c1-13-8-9(7-12)6-10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
InChI Key:
KZWCJTPPYLIJOZ-UHFFFAOYSA-N
SMILES:
N#CC1=CN(C)c2c(C1)cccc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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