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71314-98-2 | Quinolinium, 8-(2-(butylthio)ethoxy)-1-methyl-, iodide
CAS No: 71314-98-2 Catalog No: AG00FURM MDL No:
Product Description
Catalog Number:
AG00FURM
Chemical Name:
Quinolinium, 8-(2-(butylthio)ethoxy)-1-methyl-, iodide
CAS Number:
71314-98-2
IUPAC Name:
8-(2-butylsulfanylethoxy)-1-methylquinolin-1-ium;iodide
InChI:
InChI=1S/C16H22NOS.HI/c1-3-4-12-19-13-11-18-15-9-5-7-14-8-6-10-17(2)16(14)15;/h5-10H,3-4,11-13H2,1-2H3;1H/q+1;/p-1
InChI Key:
YRSPUJFTAKISGE-UHFFFAOYSA-M
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.322g/mol
Monoisotopic Mass:
403.047g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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