Home Carboxys 4-Benzoylpyridine-2-carboxylic acid

4-Benzoylpyridine-2-carboxylic acid

CAS No.:
856836-67-4
Catalog Number:
AG01EXTU
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
95%
1 week
United States
$330
- +
Product Description
Catalog Number:
AG01EXTU
Chemical Name:
4-Benzoylpyridine-2-carboxylic acid
CAS Number:
856836-67-4
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
MDL Number:
MFCD02929855
IUPAC Name:
4-benzoylpyridine-2-carboxylic acid
InChI:
InChI=1S/C13H9NO3/c15-12(9-4-2-1-3-5-9)10-6-7-14-11(8-10)13(16)17/h1-8H,(H,16,17)
InChI Key:
JSPSTQOBCATZDQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccnc(c1)C(=O)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  
Properties