Home Carboxys Diethyl pyridine-2,4-dicarboxylate

Diethyl pyridine-2,4-dicarboxylate

CAS No.:
41438-38-4
Catalog Number:
AG00BXTD
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$753
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Product Description
Catalog Number:
AG00BXTD
Chemical Name:
Diethyl pyridine-2,4-dicarboxylate
CAS Number:
41438-38-4
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD00152168
IUPAC Name:
diethyl pyridine-2,4-dicarboxylate
InChI:
InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
MUUDQLHCIAOWPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(c1)C(=O)OCC
EC Number:
680-341-5
UNII:
4SN4572M5S
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
(2S*)-2-Ammonio-3-(1H-indol-3-yl)propionate pyridine-2,4-dicarboxylic acid ethanol solvate. Acta crystallographica. Section E, Structure reports online 20100501
Properties