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20872-53-1 | 4-methylsulfonyl-1-oxido-quinoline
CAS No: 20872-53-1 Catalog No: AG00BW5Q MDL No:
Product Description
Catalog Number:
AG00BW5Q
Chemical Name:
4-methylsulfonyl-1-oxido-quinoline
CAS Number:
20872-53-1
IUPAC Name:
4-methylsulfonyl-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C10H9NO3S/c1-15(13,14)10-6-7-11(12)9-5-3-2-4-8(9)10/h2-7H,1H3
InChI Key:
OCKDUBUWILOJFM-UHFFFAOYSA-N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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