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123420-07-5 | 4(1H)-Quinolinone, 6-methoxy-2-(methylthio)-
CAS No: 123420-07-5 Catalog No: AG000KJQ MDL No:
Product Description
Catalog Number:
AG000KJQ
Chemical Name:
4(1H)-Quinolinone, 6-methoxy-2-(methylthio)-
CAS Number:
123420-07-5
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
IUPAC Name:
6-methoxy-2-methylsulfanyl-1H-quinolin-4-one
InChI:
InChI=1S/C11H11NO2S/c1-14-7-3-4-9-8(5-7)10(13)6-11(12-9)15-2/h3-6H,1-2H3,(H,12,13)
InChI Key:
DMFXZVIMQKVYOK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)cc([nH]2)SC
Properties
Complexity:
290
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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