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124558-62-9 | [4,4'-Bipyridine]-2,2',6,6'-tetracarboxylic acid, 2,2',6,6'-tetramethyl ester
CAS No: 124558-62-9 Catalog No: AG000M7V MDL No:
Product Description
Catalog Number:
AG000M7V
Chemical Name:
[4,4'-Bipyridine]-2,2',6,6'-tetracarboxylic acid, 2,2',6,6'-tetramethyl ester
CAS Number:
124558-62-9
Molecular Formula:
C18H16N2O8
Molecular Weight:
388.3282
IUPAC Name:
dimethyl 4-[2,6-bis(methoxycarbonyl)pyridin-4-yl]pyridine-2,6-dicarboxylate
InChI:
InChI=1S/C18H16N2O8/c1-25-15(21)11-5-9(6-12(19-11)16(22)26-2)10-7-13(17(23)27-3)20-14(8-10)18(24)28-4/h5-8H,1-4H3
InChI Key:
DOMGSIUREPLUJK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(n1)C(=O)OC)c1cc(nc(c1)C(=O)OC)C(=O)OC
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.091g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.332g/mol
Monoisotopic Mass:
388.091g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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