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56474-32-9 | 1-(2,6-Dimethyl-4-oxo-1(4H)-pyridinyl)-5-ethyl-2-methylpyridinium tetrafluoroborate
CAS No: 56474-32-9 Catalog No: AG01EWH3 MDL No:
Product Description
Catalog Number:
AG01EWH3
Chemical Name:
1-(2,6-Dimethyl-4-oxo-1(4H)-pyridinyl)-5-ethyl-2-methylpyridinium tetrafluoroborate
CAS Number:
56474-32-9
Molecular Formula:
C15H19BF4N2O
Molecular Weight:
330.1288
IUPAC Name:
1-(5-ethyl-2-methylpyridin-1-ium-1-yl)-2,6-dimethylpyridin-4-one;tetrafluoroborate
InChI:
InChI=1S/C15H19N2O.BF4/c1-5-14-7-6-11(2)16(10-14)17-12(3)8-15(18)9-13(17)4;2-1(3,4)5/h6-10H,5H2,1-4H3;/q+1;-1
InChI Key:
QEGVUFUIAIRGON-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCc1ccc([n+](c1)n1c(C)cc(=O)cc1C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.134g/mol
Monoisotopic Mass:
330.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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