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55952-56-2 | 1-ethyl-4-methylquinolinium toluene-p-sulphonate
CAS No: 55952-56-2 Catalog No: AG00DTO4 MDL No:
Product Description
Catalog Number:
AG00DTO4
Chemical Name:
1-ethyl-4-methylquinolinium toluene-p-sulphonate
CAS Number:
55952-56-2
IUPAC Name:
1-ethyl-4-methylquinolin-1-ium;4-methylbenzenesulfonate
InChI:
InChI=1S/C12H14N.C7H8O3S/c1-3-13-9-8-10(2)11-6-4-5-7-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
IVVQOSKVQMKYEQ-UHFFFAOYSA-M
EC Number:
259-918-7
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.441g/mol
Monoisotopic Mass:
343.124g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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