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97175-46-7 | 1-METHYL-2-(4-METHYLSTYRYL)PYRIDINIUM IODIDE
CAS No: 97175-46-7 Catalog No: AG006NFK MDL No:
Product Description
Catalog Number:
AG006NFK
Chemical Name:
1-METHYL-2-(4-METHYLSTYRYL)PYRIDINIUM IODIDE
CAS Number:
97175-46-7
Molecular Formula:
C15H16IN
Molecular Weight:
337.1987
IUPAC Name:
1-methyl-2-[2-(4-methylphenyl)ethenyl]pyridin-1-ium;iodide
InChI:
InChI=1S/C15H16N.HI/c1-13-6-8-14(9-7-13)10-11-15-5-3-4-12-16(15)2;/h3-12H,1-2H3;1H/q+1;/p-1
InChI Key:
CXZIJCNATGMHGK-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)C=Cc1cccc[n+]1C.[I-]
Properties
Complexity:
226
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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