Home Carboxys 4,6-Diethoxypyridine-3-carboxylic acid ethyl ester

4,6-Diethoxypyridine-3-carboxylic acid ethyl ester

CAS No.:
50503-46-3
Catalog Number:
AG00DGD8
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
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Product Description
Catalog Number:
AG00DGD8
Chemical Name:
4,6-Diethoxypyridine-3-carboxylic acid ethyl ester
CAS Number:
50503-46-3
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
MDL Number:
MFCD16556286
IUPAC Name:
ethyl 4,6-diethoxypyridine-3-carboxylate
InChI:
InChI=1S/C12H17NO4/c1-4-15-10-7-11(16-5-2)13-8-9(10)12(14)17-6-3/h7-8H,4-6H2,1-3H3
InChI Key:
QMUGTTKTIVEUSM-UHFFFAOYSA-N
SMILES:
CCOc1ncc(c(c1)OCC)C(=O)OCC
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties