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535992-20-2 | 6-Quinolinecarbonitrile,5-methoxy-,1-oxide(9CI)
CAS No: 535992-20-2 Catalog No: AG00E89B MDL No:
Product Description
Catalog Number:
AG00E89B
Chemical Name:
6-Quinolinecarbonitrile,5-methoxy-,1-oxide(9CI)
CAS Number:
535992-20-2
IUPAC Name:
5-methoxy-1-oxidoquinolin-1-ium-6-carbonitrile
InChI:
InChI=1S/C11H8N2O2/c1-15-11-8(7-12)4-5-10-9(11)3-2-6-13(10)14/h2-6H,1H3
InChI Key:
ZQZGBJVZEOIBRB-UHFFFAOYSA-N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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