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18986-18-0

18986-18-0 | 2,6-Pyridinedicarboxylic acid, 4-ethoxy-, 2,6-diethyl ester

CAS No: 18986-18-0 Catalog No: AG002E1Y MDL No:

Product Description

Catalog Number:
AG002E1Y
Chemical Name:
2,6-Pyridinedicarboxylic acid, 4-ethoxy-, 2,6-diethyl ester
CAS Number:
18986-18-0
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
IUPAC Name:
diethyl 4-ethoxypyridine-2,6-dicarboxylate
InChI:
InChI=1S/C13H17NO5/c1-4-17-9-7-10(12(15)18-5-2)14-11(8-9)13(16)19-6-3/h7-8H,4-6H2,1-3H3
InChI Key:
NNRRKCKQJPIZTM-UHFFFAOYSA-N
SMILES:
CCOc1cc(nc(c1)C(=O)OCC)C(=O)OCC

Properties

Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.281g/mol
Monoisotopic Mass:
267.111g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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