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88210-17-7 | Quinolinium, 1,1'-(1,10-decanediyl)bis[6-hydroxy-, diiodide
CAS No: 88210-17-7 Catalog No: AG004DVX MDL No:
Product Description
Catalog Number:
AG004DVX
Chemical Name:
Quinolinium, 1,1'-(1,10-decanediyl)bis[6-hydroxy-, diiodide
CAS Number:
88210-17-7
Molecular Formula:
C28H34I2N2O2
Molecular Weight:
684.3907
IUPAC Name:
1-[10-(6-hydroxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium-6-ol;diiodide
InChI:
InChI=1S/C28H32N2O2.2HI/c31-25-13-15-27-23(21-25)11-9-19-29(27)17-7-5-3-1-2-4-6-8-18-30-20-10-12-24-22-26(32)14-16-28(24)30;;/h9-16,19-22H,1-8,17-18H2;2*1H
InChI Key:
CKGVXYXHPJADPQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)ccc[n+]2CCCCCCCCCC[n+]1cccc2c1ccc(c2)O.[I-].[I-]
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
684.071g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
684.401g/mol
Monoisotopic Mass:
684.071g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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