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88210-18-8 | Quinolinium, 1-decyl-6-hydroxy-, iodide
CAS No: 88210-18-8 Catalog No: AG008BHH MDL No:
Product Description
Catalog Number:
AG008BHH
Chemical Name:
Quinolinium, 1-decyl-6-hydroxy-, iodide
CAS Number:
88210-18-8
Molecular Formula:
C19H28INO
Molecular Weight:
413.3362
IUPAC Name:
1-decylquinolin-1-ium-6-ol;iodide
InChI:
InChI=1S/C19H27NO.HI/c1-2-3-4-5-6-7-8-9-14-20-15-10-11-17-16-18(21)12-13-19(17)20;/h10-13,15-16H,2-9,14H2,1H3;1H
InChI Key:
HUQQBRMGKDJKMX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC[n+]1cccc2c1ccc(c2)O.[I-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.343g/mol
Monoisotopic Mass:
413.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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