Home Carboxys 3-Pyridinecarboxylic acid, 5-(2-formylphenyl)-

3-Pyridinecarboxylic acid, 5-(2-formylphenyl)-

CAS No.:
566198-40-1
Catalog Number:
AG00IA3N
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
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Product Description
Catalog Number:
AG00IA3N
Chemical Name:
3-Pyridinecarboxylic acid, 5-(2-formylphenyl)-
CAS Number:
566198-40-1
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
IUPAC Name:
5-(2-formylphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H9NO3/c15-8-9-3-1-2-4-12(9)10-5-11(13(16)17)7-14-6-10/h1-8H,(H,16,17)
InChI Key:
GLDSEZPCRFQWSL-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1cncc(c1)C(=O)O
Properties
Complexity:
292  
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:
1.5  
Properties