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872468-96-7 | [4,4'-Bipyridine]-2-carboxylic acid
CAS No: 872468-96-7 Catalog No: AG004J8U MDL No:
Product Description
Catalog Number:
AG004J8U
Chemical Name:
[4,4'-Bipyridine]-2-carboxylic acid
CAS Number:
872468-96-7
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
4-pyridin-4-ylpyridine-2-carboxylic acid
InChI:
InChI=1S/C11H8N2O2/c14-11(15)10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H,(H,14,15)
InChI Key:
XTXTUUSBPVGPTE-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)c1ccncc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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