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29714-05-4 | Pyridinium, 1-methyl-4-[(1E)-2-(4-methylphenyl)ethenyl]-, iodide (9CI)
CAS No: 29714-05-4 Catalog No: AG002Z6Q MDL No:
Product Description
Catalog Number:
AG002Z6Q
Chemical Name:
Pyridinium, 1-methyl-4-[(1E)-2-(4-methylphenyl)ethenyl]-, iodide (9CI)
CAS Number:
29714-05-4
Molecular Formula:
C15H16IN
Molecular Weight:
337.1987
IUPAC Name:
1-methyl-4-[2-(4-methylphenyl)ethenyl]pyridin-1-ium;iodide
InChI:
InChI=1S/C15H16N.HI/c1-13-3-5-14(6-4-13)7-8-15-9-11-16(2)12-10-15;/h3-12H,1-2H3;1H/q+1;/p-1
InChI Key:
ZOFFDYASWXBEFK-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)/C=C/c1cc[n+](cc1)C.[I-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.204g/mol
Monoisotopic Mass:
337.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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