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Home > Pyridines > 136714-42-6
136714-42-6 | 2-methyl-1-(2-oxo-2-phenylethyl)pyridinium
CAS No: 136714-42-6 Catalog No: AG00J5OF MDL No:MFCD00680502
Product Description
Catalog Number:
AG00J5OF
Chemical Name:
2-methyl-1-(2-oxo-2-phenylethyl)pyridinium
CAS Number:
136714-42-6
Molecular Formula:
C14H14NO+
Molecular Weight:
212.2671
MDL Number:
MFCD00680502
IUPAC Name:
2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone
InChI:
InChI=1S/C14H14NO/c1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3/q+1
InChI Key:
ZPHBROYGBIQXLA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C[n+]1ccccc1C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.108g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.272g/mol
Monoisotopic Mass:
212.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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