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Home > Pyridines > 143954-72-7
143954-72-7 | Benzoic acid, 4,4'-([2,2'-bipyridine]-4,4'-diyl)bis- (9CI)
CAS No: 143954-72-7 Catalog No: AG001INR MDL No:
Product Description
Catalog Number:
AG001INR
Chemical Name:
Benzoic acid, 4,4'-([2,2'-bipyridine]-4,4'-diyl)bis- (9CI)
CAS Number:
143954-72-7
Molecular Formula:
C24H16N2O4
Molecular Weight:
396.3948
IUPAC Name:
4-[2-[4-(4-carboxyphenyl)pyridin-2-yl]pyridin-4-yl]benzoic acid
InChI:
InChI=1S/C24H16N2O4/c27-23(28)17-5-1-15(2-6-17)19-9-11-25-21(13-19)22-14-20(10-12-26-22)16-3-7-18(8-4-16)24(29)30/h1-14H,(H,27,28)(H,29,30)
InChI Key:
VUDNLKPOONKNTD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccnc(c1)c1nccc(c1)c1ccc(cc1)C(=O)O
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.111g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.402g/mol
Monoisotopic Mass:
396.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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