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Home Carboxys Dimethyl 4-hydroxypyridine-2,6-dicarboxylate

Dimethyl 4-hydroxypyridine-2,6-dicarboxylate

CAS No.:
19872-91-4
Catalog Number:
AG002BP9
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$175
- +
5g
95%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG002BP9
Chemical Name:
Dimethyl 4-hydroxypyridine-2,6-dicarboxylate
CAS Number:
19872-91-4
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD00185834
IUPAC Name:
dimethyl 4-oxo-1H-pyridine-2,6-dicarboxylate
InChI:
InChI=1S/C9H9NO5/c1-14-8(12)6-3-5(11)4-7(10-6)9(13)15-2/h3-4H,1-2H3,(H,10,11)
InChI Key:
FERASHUCDLDGHK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)cc(n1)C(=O)OC
Properties
Complexity:
346  
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:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Virtual Screening of potential drug-like inhibitors against Lysine/DAP pathway of Mycobacterium tuberculosis. BMC bioinformatics 20100101
Inhibiting dihydrodipicolinate synthase across species: towards specificity for pathogens? Bioorganic & medicinal chemistry letters 20080115
Properties