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247058-03-3 | [2,2':6',2''-Terpyridine]-3',4'-dicarboxylic acid (9CI)
CAS No: 247058-03-3 Catalog No: AG002P3X MDL No:
Product Description
Catalog Number:
AG002P3X
Chemical Name:
[2,2':6',2''-Terpyridine]-3',4'-dicarboxylic acid (9CI)
CAS Number:
247058-03-3
Molecular Formula:
C17H11N3O4
Molecular Weight:
321.2869
IUPAC Name:
2,6-dipyridin-2-ylpyridine-3,4-dicarboxylic acid
InChI:
InChI=1S/C17H11N3O4/c21-16(22)10-9-13(11-5-1-3-7-18-11)20-15(14(10)17(23)24)12-6-2-4-8-19-12/h1-9H,(H,21,22)(H,23,24)
InChI Key:
RBNSAWMGWRVKGL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc(c1C(=O)O)c1ccccn1)c1ccccn1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.292g/mol
Monoisotopic Mass:
321.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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