Home Carboxys 5-(ethoxycarbonyl)pyridine-2-carboxylic acid

5-(ethoxycarbonyl)pyridine-2-carboxylic acid

CAS No.:
17880-34-1
Catalog Number:
AG01AMVR
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG01AMVR
Chemical Name:
5-(ethoxycarbonyl)pyridine-2-carboxylic acid
CAS Number:
17880-34-1
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00461304
IUPAC Name:
5-ethoxycarbonylpyridine-2-carboxylic acid
InChI:
InChI=1S/C9H9NO4/c1-2-14-9(13)6-3-4-7(8(11)12)10-5-6/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
IADDQXUATKYCTK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)C(=O)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Bis- and tris(pyridyl)amine-oxidovanadium complexes: characteristics and insulin-mimetic potential. Dalton transactions (Cambridge, England : 2003) 20091014
Properties