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Home Carboxys 6-Methyl-2,3-pyridinedicarboxylic acid

6-Methyl-2,3-pyridinedicarboxylic acid

CAS No.:
53636-70-7
Catalog Number:
AG00DEJB
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$100
- +
25g
97%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00DEJB
Chemical Name:
6-Methyl-2,3-pyridinedicarboxylic acid
CAS Number:
53636-70-7
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00075289
IUPAC Name:
6-methylpyridine-2,3-dicarboxylic acid
InChI:
InChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChI Key:
PHQBKLKZIXCRIX-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(n1)C(=O)O)C(=O)O
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
New monoacylhydrazidate-coordinated Mn2+ and Pb2+ compounds. Dalton transactions (Cambridge, England : 2003) 20120528
Identifying chelators for metalloprotein inhibitors using a fragment-based approach. Journal of medicinal chemistry 20110127
The equilibrium between the octahedral and square pyramidal form and the influence of an axial ligand on the molecular properties of V(IV)O complexes: a spectroscopic and DFT study. Chemistry (Weinheim an der Bergstrasse, Germany) 20100719
Properties