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793694-40-3 | Pyridinium, 2,6-bis[(1E)-2-(4-methoxyphenyl)ethenyl]-1-methyl-, iodide
CAS No: 793694-40-3 Catalog No: AG0058VN MDL No:
Product Description
Catalog Number:
AG0058VN
Chemical Name:
Pyridinium, 2,6-bis[(1E)-2-(4-methoxyphenyl)ethenyl]-1-methyl-, iodide
CAS Number:
793694-40-3
Molecular Formula:
C24H24INO2
Molecular Weight:
485.3573
IUPAC Name:
2,6-bis[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C24H24NO2.HI/c1-25-21(13-7-19-9-15-23(26-2)16-10-19)5-4-6-22(25)14-8-20-11-17-24(27-3)18-12-20;/h4-18H,1-3H3;1H/q+1;/p-1
InChI Key:
JKBWPVVQYCJWLK-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)/C=C/c1cccc([n+]1C)/C=C/c1ccc(cc1)OC.[I-]
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.085g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.365g/mol
Monoisotopic Mass:
485.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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