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927833-22-5 | 4(1H)-Quinolinone, 1-methyl-8-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 927833-22-5 Catalog No: AG006E0M MDL No:
Product Description
Catalog Number:
AG006E0M
Chemical Name:
4(1H)-Quinolinone, 1-methyl-8-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
927833-22-5
Molecular Formula:
C17H15NO4S
Molecular Weight:
329.3703
IUPAC Name:
(1-methyl-4-oxoquinolin-8-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H15NO4S/c1-12-6-8-13(9-7-12)23(20,21)22-16-5-3-4-14-15(19)10-11-18(2)17(14)16/h3-11H,1-2H3
InChI Key:
UDJAQAIEDYUUTR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1cccc2c1n(C)ccc2=O
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.37g/mol
Monoisotopic Mass:
329.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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