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454422-43-6 | 1,3-Dimethyl-2-(2-methylphenyl)pyridin-1-ium iodide
CAS No: 454422-43-6 Catalog No: AG01EW1R MDL No:
Product Description
Catalog Number:
AG01EW1R
Chemical Name:
1,3-Dimethyl-2-(2-methylphenyl)pyridin-1-ium iodide
CAS Number:
454422-43-6
Molecular Formula:
C14H16IN
Molecular Weight:
325.1880
IUPAC Name:
1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;iodide
InChI:
InChI=1S/C14H16N.HI/c1-11-7-4-5-9-13(11)14-12(2)8-6-10-15(14)3;/h4-10H,1-3H3;1H/q+1;/p-1
InChI Key:
XOFNVHFHTSHENH-UHFFFAOYSA-M
SMILES:
Cc1ccc[n+](c1c1ccccc1C)C.[I-]
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.193g/mol
Monoisotopic Mass:
325.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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