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Home > Pyridines > 115260-54-3
115260-54-3 | Pyridinium, 2-methyl-1-(2-oxo-2-phenylethyl)-, chloride (1:1)
CAS No: 115260-54-3 Catalog No: AG000GJ2 MDL No:
Product Description
Catalog Number:
AG000GJ2
Chemical Name:
Pyridinium, 2-methyl-1-(2-oxo-2-phenylethyl)-, chloride (1:1)
CAS Number:
115260-54-3
Molecular Formula:
C14H14ClNO
Molecular Weight:
247.7201
IUPAC Name:
2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;chloride
InChI:
InChI=1S/C14H14NO.ClH/c1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
PMMCMSABBCBROB-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)C[n+]1ccccc1C.[Cl-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.722g/mol
Monoisotopic Mass:
247.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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