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10222-47-6 | 2-Quinolinecarbonitrile, 4-methyl-, 1-oxide
CAS No: 10222-47-6 Catalog No: AG0006Z1 MDL No:
Product Description
Catalog Number:
AG0006Z1
Chemical Name:
2-Quinolinecarbonitrile, 4-methyl-, 1-oxide
CAS Number:
10222-47-6
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
4-methyl-1-oxidoquinolin-1-ium-2-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-8-6-9(7-12)13(14)11-5-3-2-4-10(8)11/h2-6H,1H3
InChI Key:
YREITLDQCKXCJH-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c2c([n+]1[O-])cccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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