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4329-91-3 | 1-ethyl-2-sulphonatoquinolinium
CAS No: 4329-91-3 Catalog No: AG00DTNP MDL No:
Product Description
Catalog Number:
AG00DTNP
Chemical Name:
1-ethyl-2-sulphonatoquinolinium
CAS Number:
4329-91-3
IUPAC Name:
1-ethylquinolin-1-ium-2-sulfonate
InChI:
InChI=1S/C11H11NO3S/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)16(13,14)15/h3-8H,2H2,1H3
InChI Key:
VDLUATXFGISGEH-UHFFFAOYSA-N
EC Number:
224-365-2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.273g/mol
Monoisotopic Mass:
237.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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