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886577-82-8 | Pyridinium, 1,1'-[1,3-phenylenebis(2-oxo-2,1-ethanediyl)]bis-, diiodide
CAS No: 886577-82-8 Catalog No: AG0047VE MDL No:
Product Description
Catalog Number:
AG0047VE
Chemical Name:
Pyridinium, 1,1'-[1,3-phenylenebis(2-oxo-2,1-ethanediyl)]bis-, diiodide
CAS Number:
886577-82-8
Molecular Formula:
C20H18I2N2O2
Molecular Weight:
572.1781
IUPAC Name:
2-pyridin-1-ium-1-yl-1-[3-(2-pyridin-1-ium-1-ylacetyl)phenyl]ethanone;diiodide
InChI:
InChI=1S/C20H18N2O2.2HI/c23-19(15-21-10-3-1-4-11-21)17-8-7-9-18(14-17)20(24)16-22-12-5-2-6-13-22;;/h1-14H,15-16H2;2*1H/q+2;;/p-2
InChI Key:
QKCRUWFBJHGAFP-UHFFFAOYSA-L
SMILES:
O=C(c1cccc(c1)C(=O)C[n+]1ccccc1)C[n+]1ccccc1.[I-].[I-]
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
571.946g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
572.185g/mol
Monoisotopic Mass:
571.946g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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