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Home > Pyridines > 122268-85-3
122268-85-3 | Pyridinium, 1-methyl-4-(3-methylphenyl)-
CAS No: 122268-85-3 Catalog No: AG00171B MDL No:
Product Description
Catalog Number:
AG00171B
Chemical Name:
Pyridinium, 1-methyl-4-(3-methylphenyl)-
CAS Number:
122268-85-3
Molecular Formula:
C13H14N+
Molecular Weight:
184.2570
IUPAC Name:
1-methyl-4-(3-methylphenyl)pyridin-1-ium
InChI:
InChI=1S/C13H14N/c1-11-4-3-5-13(10-11)12-6-8-14(2)9-7-12/h3-10H,1-2H3/q+1
InChI Key:
FWKMOPRVJGRVHO-UHFFFAOYSA-N
SMILES:
C[n+]1ccc(cc1)c1cccc(c1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.113g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.262g/mol
Monoisotopic Mass:
184.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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