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71205-44-2 | 2-Methyl-1-(4-sulfonatobutyl)quinolinium
CAS No: 71205-44-2 Catalog No: AG00FULR MDL No:
Product Description
Catalog Number:
AG00FULR
Chemical Name:
2-Methyl-1-(4-sulfonatobutyl)quinolinium
CAS Number:
71205-44-2
IUPAC Name:
4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonate
InChI:
InChI=1S/C14H17NO3S/c1-12-8-9-13-6-2-3-7-14(13)15(12)10-4-5-11-19(16,17)18/h2-3,6-9H,4-5,10-11H2,1H3
InChI Key:
JUWSQOREGFYALX-UHFFFAOYSA-N
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.354g/mol
Monoisotopic Mass:
279.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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