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116565-70-9 | [2,2'-Bipyridine]-4,4'-dicarboxylic acid, 4,4'-bis(2,5-dioxo-1-pyrrolidinyl) ester
CAS No: 116565-70-9 Catalog No: AG000CS3 MDL No:
Product Description
Catalog Number:
AG000CS3
Chemical Name:
[2,2'-Bipyridine]-4,4'-dicarboxylic acid, 4,4'-bis(2,5-dioxo-1-pyrrolidinyl) ester
CAS Number:
116565-70-9
Molecular Formula:
C20H14N4O8
Molecular Weight:
438.3472
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylpyridin-2-yl]pyridine-4-carboxylate
InChI:
InChI=1S/C20H14N4O8/c25-15-1-2-16(26)23(15)31-19(29)11-5-7-21-13(9-11)14-10-12(6-8-22-14)20(30)32-24-17(27)3-4-18(24)28/h5-10H,1-4H2
InChI Key:
FEQOUBVDJCANJO-UHFFFAOYSA-N
SMILES:
O=C(c1ccnc(c1)c1nccc(c1)C(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.081g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.352g/mol
Monoisotopic Mass:
438.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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