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72995-14-3 | 2(1H)-Quinolinone, 3,4-dihydro-5-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 72995-14-3 Catalog No: AG005YRS MDL No:
Product Description
Catalog Number:
AG005YRS
Chemical Name:
2(1H)-Quinolinone, 3,4-dihydro-5-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
72995-14-3
Molecular Formula:
C16H15NO4S
Molecular Weight:
317.3596
IUPAC Name:
(2-oxo-3,4-dihydro-1H-quinolin-5-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H15NO4S/c1-11-5-7-12(8-6-11)22(19,20)21-15-4-2-3-14-13(15)9-10-16(18)17-14/h2-8H,9-10H2,1H3,(H,17,18)
InChI Key:
VWBKZKSFICZCGA-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)cccc2OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.359g/mol
Monoisotopic Mass:
317.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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