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88187-49-9 | 2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-(methylthio)-
CAS No: 88187-49-9 Catalog No: AG004CD3 MDL No:
Product Description
Catalog Number:
AG004CD3
Chemical Name:
2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-(methylthio)-
CAS Number:
88187-49-9
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
IUPAC Name:
4-hydroxy-1-methyl-3-methylsulfanylquinolin-2-one
InChI:
InChI=1S/C11H11NO2S/c1-12-8-6-4-3-5-7(8)9(13)10(15-2)11(12)14/h3-6,13H,1-2H3
InChI Key:
HNTIRRBZDVWQBN-UHFFFAOYSA-N
SMILES:
CSc1c(O)c2ccccc2n(c1=O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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