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2602-36-0 | 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-
CAS No: 2602-36-0 Catalog No: AG002REO MDL No:
Product Description
Catalog Number:
AG002REO
Chemical Name:
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-
CAS Number:
2602-36-0
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
2,6-dimethylpyridine-3,5-dicarboxylic acid
InChI:
InChI=1S/C9H9NO4/c1-4-6(8(11)12)3-7(9(13)14)5(2)10-4/h3H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
WQFXJSOUBPGBGW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C(=O)O)c(nc1C)C
NSC Number:
165776
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Poly[[[μ(2)-1,1'-(butane-1,4-di-yl)bis-(1H-imidazole)-κN:N](μ(2)-2,6-di-methyl-pyridine-3,5-dicarboxyl-ato-κO:O)zinc] dihydrate]. | Acta crystallographica. Section E, Structure reports online 20111001 |
| Poly[(μ(5)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ato)zinc]. | Acta crystallographica. Section E, Structure reports online 20110701 |
| 3,5-Dicarb-oxy-2,6-dimethyl-pyridinium chloride dihydrate. | Acta crystallographica. Section E, Structure reports online 20100601 |
| Poly[bis-(μ-2,6-dimethyl-pyridinium-3,5-dicarboxyl-ato-κO:O)copper(II)]. | Acta crystallographica. Section E, Structure reports online 20081201 |
| A new two-dimensional supramolecule composed of mu-2,6-dimethylpyridine-3,5-dicarboxylato-kappa4O3,O3':O5,O5'-bis[chloro(1,10-phenanthroline-kappa2N,N')zinc(II)]. | Acta crystallographica. Section C, Crystal structure communications 20070401 |
| Self-assembly of polymer and sheet structures in palladium(II) complexes containing carboxylic acid substituents. | Inorganic chemistry 20021007 |
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