Home Carbonyls 3-(ethoxycarbonyl)-2-methylpyridine 1-oxide

3-(ethoxycarbonyl)-2-methylpyridine 1-oxide

CAS No.:
31181-61-0
Catalog Number:
AG00BHEE
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00BHEE
Chemical Name:
3-(ethoxycarbonyl)-2-methylpyridine 1-oxide
CAS Number:
31181-61-0
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD25962157
IUPAC Name:
ethyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-3-13-9(11)8-5-4-6-10(12)7(8)2/h4-6H,3H2,1-2H3
InChI Key:
QTQNOBVKWYIKMP-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1C)C(=O)OCC
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties