Home Carboxys 4-Pyridinecarboxylicacid, ethyl ester, 1-oxide

4-Pyridinecarboxylicacid, ethyl ester, 1-oxide

CAS No.:
14906-37-7
Catalog Number:
AG007JB4
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$332
- +
1g
95%
1 week
United States
$774
- +
Product Description
Catalog Number:
AG007JB4
Chemical Name:
4-Pyridinecarboxylicacid, ethyl ester, 1-oxide
CAS Number:
14906-37-7
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD06204693
IUPAC Name:
ethyl 1-oxidopyridin-1-ium-4-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-2-12-8(10)7-3-5-9(11)6-4-7/h3-6H,2H2,1H3
InChI Key:
DPWRGNWJVVSVIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc[n+](cc1)[O-]
Properties
Complexity:
152  
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:
0.4  
Properties