Home Carboxys 2,5-Pyridinedicarboxylic acid, 1,6-dihydro-6-oxo-, 2-ethyl ester

2,5-Pyridinedicarboxylic acid, 1,6-dihydro-6-oxo-, 2-ethyl ester

CAS No.:
87762-51-4
Catalog Number:
AG004FLB
Molecular Formula:
C9H8NO5-
Molecular Weight:
210.1635
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Product Description
Catalog Number:
AG004FLB
Chemical Name:
2,5-Pyridinedicarboxylic acid, 1,6-dihydro-6-oxo-, 2-ethyl ester
CAS Number:
87762-51-4
Molecular Formula:
C9H8NO5-
Molecular Weight:
210.1635
MDL Number:
MFCD26935668
IUPAC Name:
6-ethoxycarbonyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO5/c1-2-15-9(14)6-4-3-5(8(12)13)7(11)10-6/h3-4H,2H2,1H3,(H,10,11)(H,12,13)
InChI Key:
XMPZWZXXZKTUMA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(=O)[nH]1)C(=O)[O-]
Properties
Complexity:
380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties