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4727-51-9 | 1-(3-sulphonatopropyl)quinolinium
CAS No: 4727-51-9 Catalog No: AG00DZYQ MDL No:
Product Description
Catalog Number:
AG00DZYQ
Chemical Name:
1-(3-sulphonatopropyl)quinolinium
CAS Number:
4727-51-9
IUPAC Name:
3-quinolin-1-ium-1-ylpropane-1-sulfonate
InChI:
InChI=1S/C12H13NO3S/c14-17(15,16)10-4-9-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2
InChI Key:
CBTVLEZOOQHSOC-UHFFFAOYSA-N
EC Number:
225-225-3
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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