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142094-31-3 | Quinolinium, 1-(7-carboxyheptyl)-6-methoxy-, bromide (1:1)
CAS No: 142094-31-3 Catalog No: AG001HRK MDL No:
Product Description
Catalog Number:
AG001HRK
Chemical Name:
Quinolinium, 1-(7-carboxyheptyl)-6-methoxy-, bromide (1:1)
CAS Number:
142094-31-3
Molecular Formula:
C18H24BrNO3
Molecular Weight:
382.2921
IUPAC Name:
8-(6-methoxyquinolin-1-ium-1-yl)octanoic acid;bromide
InChI:
InChI=1S/C18H23NO3.BrH/c1-22-16-10-11-17-15(14-16)8-7-13-19(17)12-6-4-2-3-5-9-18(20)21;/h7-8,10-11,13-14H,2-6,9,12H2,1H3;1H
InChI Key:
RSQATUGWJKUOFK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc[n+]2CCCCCCCC(=O)O.[Br-]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.094g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.298g/mol
Monoisotopic Mass:
381.094g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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