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1605-74-9 | Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)
CAS No: 1605-74-9 Catalog No: AG001RYT MDL No:
Product Description
Catalog Number:
AG001RYT
Chemical Name:
Quinolinium, 1,2-dimethyl-, methyl sulfate (1:1)
CAS Number:
1605-74-9
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
IUPAC Name:
1,2-dimethylquinolin-1-ium;methyl sulfate
InChI:
InChI=1S/C11H12N.CH4O4S/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;1-5-6(2,3)4/h3-8H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
DYPVVNINWYTKOK-UHFFFAOYSA-M
SMILES:
C[n+]1c(C)ccc2c1cccc2.COS(=O)(=O)[O-]
EC Number:
216-518-7
NSC Number:
97406
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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