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20729-86-6 | Quinolinium, 1,2-dimethyl-, perchlorate (1:1)
CAS No: 20729-86-6 Catalog No: AG002IXW MDL No:
Product Description
Catalog Number:
AG002IXW
Chemical Name:
Quinolinium, 1,2-dimethyl-, perchlorate (1:1)
CAS Number:
20729-86-6
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
IUPAC Name:
1,2-dimethylquinolin-1-ium;perchlorate
InChI:
InChI=1S/C11H12N.ClHO4/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;2-1(3,4)5/h3-8H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ORGVJFSJIVVAJU-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.C[n+]1c(C)ccc2c1cccc2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.67g/mol
Monoisotopic Mass:
257.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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