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147779-25-7 | 3-Pyridinecarboxylic acid, 2-benzoyl-
CAS No: 147779-25-7 Catalog No: AG001F7D MDL No:
Product Description
Catalog Number:
AG001F7D
Chemical Name:
3-Pyridinecarboxylic acid, 2-benzoyl-
CAS Number:
147779-25-7
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
IUPAC Name:
2-benzoylpyridine-3-carboxylic acid
InChI:
InChI=1S/C13H9NO3/c15-12(9-5-2-1-3-6-9)11-10(13(16)17)7-4-8-14-11/h1-8H,(H,16,17)
InChI Key:
CUADCEFWXFDKEK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1C(=O)c1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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