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24476-52-6 | 4,4'-Bipyridinium, 1,1'-dimethyl-, acetate (1:2)
CAS No: 24476-52-6 Catalog No: AG002OA7 MDL No:
Product Description
Catalog Number:
AG002OA7
Chemical Name:
4,4'-Bipyridinium, 1,1'-dimethyl-, acetate (1:2)
CAS Number:
24476-52-6
Molecular Formula:
C16H20N2O4
Molecular Weight:
304.3410
IUPAC Name:
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;diacetate
InChI:
InChI=1S/C12H14N2.2C2H4O2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-2(3)4/h3-10H,1-2H3;2*1H3,(H,3,4)/q+2;;/p-2
InChI Key:
ZABJDFCSWZWZGH-UHFFFAOYSA-L
SMILES:
C[n+]1ccc(cc1)c1cc[n+](cc1)C.[O-]C(=O)C.[O-]C(=O)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.346g/mol
Monoisotopic Mass:
304.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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