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16218-74-9 | Quinolinium, 1-methyl-, 4-methylbenzenesulfonate (1:1)
CAS No: 16218-74-9 Catalog No: AG001SUA MDL No:
Product Description
Catalog Number:
AG001SUA
Chemical Name:
Quinolinium, 1-methyl-, 4-methylbenzenesulfonate (1:1)
CAS Number:
16218-74-9
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
IUPAC Name:
4-methylbenzenesulfonate;1-methylquinolin-1-ium
InChI:
InChI=1S/C10H10N.C7H8O3S/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
UKQVAKKCHJNWPC-UHFFFAOYSA-M
SMILES:
C[n+]1cccc2c1cccc2.Cc1ccc(cc1)S(=O)(=O)[O-]
EC Number:
240-346-1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.387g/mol
Monoisotopic Mass:
315.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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