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25015-61-6 | 4,4'-Bipyridinium, 1,1'-bis(2-hydroxyethyl)-, iodide (1:2)
CAS No: 25015-61-6 Catalog No: AG002Q6J MDL No:
Product Description
Catalog Number:
AG002Q6J
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis(2-hydroxyethyl)-, iodide (1:2)
CAS Number:
25015-61-6
Molecular Formula:
C14H18I2N2O2
Molecular Weight:
500.1139
IUPAC Name:
2-[4-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanol;diiodide
InChI:
InChI=1S/C14H18N2O2.2HI/c17-11-9-15-5-1-13(2-6-15)14-3-7-16(8-4-14)10-12-18;;/h1-8,17-18H,9-12H2;2*1H/q+2;;/p-2
InChI Key:
BTNCVCUDZUDSNE-UHFFFAOYSA-L
SMILES:
OCC[n+]1ccc(cc1)c1cc[n+](cc1)CCO.[I-].[I-]
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.946g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
500.119g/mol
Monoisotopic Mass:
499.946g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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