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128612-43-1 | [3,3'-Bipyridine]-5,5'-dicarboxylic acid, 5,5'-dimethyl ester
CAS No: 128612-43-1 Catalog No: AG000Y88 MDL No:MFCD07363810
Product Description
Catalog Number:
AG000Y88
Chemical Name:
[3,3'-Bipyridine]-5,5'-dicarboxylic acid, 5,5'-dimethyl ester
CAS Number:
128612-43-1
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
MDL Number:
MFCD07363810
IUPAC Name:
methyl 5-(5-methoxycarbonylpyridin-3-yl)pyridine-3-carboxylate
InChI:
InChI=1S/C14H12N2O4/c1-19-13(17)11-3-9(5-15-7-11)10-4-12(8-16-6-10)14(18)20-2/h3-8H,1-2H3
InChI Key:
FHLQRZZILYBCDV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)c1cncc(c1)C(=O)OC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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