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64497-91-2 | Pyridinium, 3-acetyl-5-methyl-1-(phenylmethyl)-, chloride
CAS No: 64497-91-2 Catalog No: AG00H6UN MDL No:
Product Description
Catalog Number:
AG00H6UN
Chemical Name:
Pyridinium, 3-acetyl-5-methyl-1-(phenylmethyl)-, chloride
CAS Number:
64497-91-2
Molecular Formula:
C15H16ClNO
Molecular Weight:
261.7466
IUPAC Name:
1-(1-benzyl-5-methylpyridin-1-ium-3-yl)ethanone;chloride
InChI:
InChI=1S/C15H16NO.ClH/c1-12-8-15(13(2)17)11-16(9-12)10-14-6-4-3-5-7-14;/h3-9,11H,10H2,1-2H3;1H/q+1;/p-1
InChI Key:
DNFZDUHJEUEEBT-UHFFFAOYSA-M
SMILES:
Cc1c[n+](Cc2ccccc2)cc(c1)C(=O)C.[Cl-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.749g/mol
Monoisotopic Mass:
261.092g/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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