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61338-19-0 | 3-Quinolinecarbonitrile, 4-hydroxy-8-(methylsulfonyl)-
CAS No: 61338-19-0 Catalog No: AG00F4QO MDL No:
Product Description
Catalog Number:
AG00F4QO
Chemical Name:
3-Quinolinecarbonitrile, 4-hydroxy-8-(methylsulfonyl)-
CAS Number:
61338-19-0
IUPAC Name:
8-methylsulfonyl-4-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2O3S/c1-17(15,16)9-4-2-3-8-10(9)13-6-7(5-12)11(8)14/h2-4,6H,1H3,(H,13,14)
InChI Key:
DUQVSPFFDLGQNT-UHFFFAOYSA-N
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.256g/mol
Monoisotopic Mass:
248.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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