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198704-94-8 | Pyridinium, 2-[2-(4-ethoxyphenyl)ethenyl]-1-methyl-, iodide (1:1)
CAS No: 198704-94-8 Catalog No: AG002BP6 MDL No:
Product Description
Catalog Number:
AG002BP6
Chemical Name:
Pyridinium, 2-[2-(4-ethoxyphenyl)ethenyl]-1-methyl-, iodide (1:1)
CAS Number:
198704-94-8
Molecular Formula:
C16H18INO
Molecular Weight:
367.2247
IUPAC Name:
2-[2-(4-ethoxyphenyl)ethenyl]-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C16H18NO.HI/c1-3-18-16-11-8-14(9-12-16)7-10-15-6-4-5-13-17(15)2;/h4-13H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
FRKXFCHWSDXNIW-UHFFFAOYSA-M
SMILES:
CCOc1ccc(cc1)C=Cc1cccc[n+]1C.[I-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.23g/mol
Monoisotopic Mass:
367.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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