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72995-13-2 | 2(1H)-Quinolinone, 3,4-dihydro-5-[(methylsulfonyl)oxy]-
CAS No: 72995-13-2 Catalog No: AG005N42 MDL No:
Product Description
Catalog Number:
AG005N42
Chemical Name:
2(1H)-Quinolinone, 3,4-dihydro-5-[(methylsulfonyl)oxy]-
CAS Number:
72995-13-2
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
IUPAC Name:
(2-oxo-3,4-dihydro-1H-quinolin-5-yl) methanesulfonate
InChI:
InChI=1S/C10H11NO4S/c1-16(13,14)15-9-4-2-3-8-7(9)5-6-10(12)11-8/h2-4H,5-6H2,1H3,(H,11,12)
InChI Key:
XHWOXLCXKDATQS-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)cccc2OS(=O)(=O)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.261g/mol
Monoisotopic Mass:
241.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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