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123044-37-1 | 5-(pyridin-4-yl)pyridine-3-carboxylic acid
CAS No: 123044-37-1 Catalog No: AG000JZF MDL No:MFCD14688039
Product Description
Catalog Number:
AG000JZF
Chemical Name:
5-(pyridin-4-yl)pyridine-3-carboxylic acid
CAS Number:
123044-37-1
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD14688039
IUPAC Name:
5-pyridin-4-ylpyridine-3-carboxylic acid
InChI:
InChI=1S/C11H8N2O2/c14-11(15)10-5-9(6-13-7-10)8-1-3-12-4-2-8/h1-7H,(H,14,15)
InChI Key:
IXKJIEJDXJCAHW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(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:
0.9
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