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76784-69-5 | 4,4'-Bipyridinium, 1,1'-bis(2-methoxy-2-oxoethyl)-, dichloride
CAS No: 76784-69-5 Catalog No: AG005IBP MDL No:
Product Description
Catalog Number:
AG005IBP
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis(2-methoxy-2-oxoethyl)-, dichloride
CAS Number:
76784-69-5
Molecular Formula:
C16H18Cl2N2O4
Molecular Weight:
373.2311
IUPAC Name:
methyl 2-[4-[1-(2-methoxy-2-oxoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetate;dichloride
InChI:
InChI=1S/C16H18N2O4.2ClH/c1-21-15(19)11-17-7-3-13(4-8-17)14-5-9-18(10-6-14)12-16(20)22-2;;/h3-10H,11-12H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
ZYUQKRNXTIZKRG-UHFFFAOYSA-L
SMILES:
COC(=O)C[n+]1ccc(cc1)c1cc[n+](cc1)CC(=O)OC.[Cl-].[Cl-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.23g/mol
Monoisotopic Mass:
372.064g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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