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95495-29-7 | 4-[(E)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide
CAS No: 95495-29-7 Catalog No: AG01F05Z MDL No:
Product Description
Catalog Number:
AG01F05Z
Chemical Name:
4-[(E)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide
CAS Number:
95495-29-7
Molecular Formula:
C15H16INO
Molecular Weight:
353.1981
IUPAC Name:
4-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C15H16NO.HI/c1-16-11-9-14(10-12-16)4-3-13-5-7-15(17-2)8-6-13;/h3-12H,1-2H3;1H/q+1;/p-1/b4-3+;
InChI Key:
VOBZRAJMAYTJPT-BJILWQEISA-M
SMILES:
COc1ccc(cc1)/C=C/c1cc[n+](cc1)C.[I-]
NSC Number:
158018
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
353.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.203g/mol
Monoisotopic Mass:
353.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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