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457051-61-5 | 1-(2,6-Dimethyl-4-oxo-1(4H)-pyridinyl)pyridinium iodide
CAS No: 457051-61-5 Catalog No: AG01EW22 MDL No:
Product Description
Catalog Number:
AG01EW22
Chemical Name:
1-(2,6-Dimethyl-4-oxo-1(4H)-pyridinyl)pyridinium iodide
CAS Number:
457051-61-5
Molecular Formula:
C12H13IN2O
Molecular Weight:
328.1489
IUPAC Name:
2,6-dimethyl-1-pyridin-1-ium-1-ylpyridin-4-one;iodide
InChI:
InChI=1S/C12H13N2O.HI/c1-10-8-12(15)9-11(2)14(10)13-6-4-3-5-7-13;/h3-9H,1-2H3;1H/q+1;/p-1
InChI Key:
GAIPNHNUYFOOMJ-UHFFFAOYSA-M
SMILES:
O=c1cc(C)n(c(c1)C)[n+]1ccccc1.[I-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.153g/mol
Monoisotopic Mass:
328.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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