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861397-43-5 | 4-Quinolinol, 2-ethoxy-8-(methylthio)-
CAS No: 861397-43-5 Catalog No: AG004TK7 MDL No:
Product Description
Catalog Number:
AG004TK7
Chemical Name:
4-Quinolinol, 2-ethoxy-8-(methylthio)-
CAS Number:
861397-43-5
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
IUPAC Name:
2-ethoxy-8-methylsulfanyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H13NO2S/c1-3-15-11-7-9(14)8-5-4-6-10(16-2)12(8)13-11/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
XBBIKONGVGGKAH-UHFFFAOYSA-N
SMILES:
CCOc1cc(O)c2c(n1)c(SC)ccc2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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