Home Carboxys 3-Pyridinecarboxylic acid, ethyl ester, 1-oxide

3-Pyridinecarboxylic acid, ethyl ester, 1-oxide

CAS No.:
14906-63-9
Catalog Number:
AG001LDM
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG001LDM
Chemical Name:
3-Pyridinecarboxylic acid, ethyl ester, 1-oxide
CAS Number:
14906-63-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD16547429
IUPAC Name:
ethyl 1-oxidopyridin-1-ium-3-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-2-12-8(10)7-4-3-5-9(11)6-7/h3-6H,2H2,1H3
InChI Key:
HPFQJBOXPBNOJK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc[n+](c1)[O-]
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
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
Properties