Home  > 2,5-Pyridinedicarboxylic acid

AA00041

100-26-5 | 2,5-Pyridinedicarboxylic acid

Packsize Purity Availability Price Discounted Price    Quantity
5g 98% In Stock US $14.00 $10.00 -   +
25g 98% In Stock US $41.00 $29.00 -   +
100g 98% In Stock US $127.00 $89.00 -   +
500g 98% In Stock US $443.00 $310.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA00041
Chemical Name: 2,5-Pyridinedicarboxylic acid
CAS Number: 100-26-5
Molecular Formula: C7H5NO4
Molecular Weight: 167.1189
MDL Number: MFCD00006297
IUPAC Name: pyridine-2,5-dicarboxylic acid
InChl: InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
InChl Key: LVPMIMZXDYBCDF-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(cn1)C(=O)O
NSC Number: 177

 

Computed Properties
Complexity: 204  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 167.022g/mol
Formal Charge: 0
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0
Molecular Weight: 167.12g/mol
Monoisotopic Mass: 167.022g/mol
Rotatable Bond Count: 2  
Topological Polar Surface Area: 87.5A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.2  

 

 

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