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16490-02-1 | 4,6-Pyrimidinedicarboxylic acid
CAS No: 16490-02-1 Catalog No: AG001V4P MDL No:MFCD00094473
Product Description
Catalog Number:
AG001V4P
Chemical Name:
4,6-Pyrimidinedicarboxylic acid
CAS Number:
16490-02-1
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
MDL Number:
MFCD00094473
IUPAC Name:
pyrimidine-4,6-dicarboxylic acid
InChI:
InChI=1S/C6H4N2O4/c9-5(10)3-1-4(6(11)12)8-2-7-3/h1-2H,(H,9,10)(H,11,12)
InChI Key:
XIEOKRXVAACBHI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc(c1)C(=O)O
NSC Number:
44347
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.108g/mol
Monoisotopic Mass:
168.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Lanthanide(III)/pyrimidine-4,6-dicarboxylate/oxalate extended frameworks: a detailed study based on the lanthanide contraction and temperature effects. | Inorganic chemistry 20110905 |
| catena-Poly[[[triaqua-manganese(II)]-μ-4,4'-bipyridine-κN:N'-[triaqua-manganese(II)]-μ-pyrimidine-4,6-dicarboxyl-ato-κN,O:N,O] sulfate trihydrate]. | Acta crystallographica. Section E, Structure reports online 20100101 |
| Thermally induced interconversions of metal-pyrimidine-4,6-dicarboxylate polymers: a structural, spectroscopic, and magnetic study. | Inorganic chemistry 20090406 |
| Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases. | Journal of medicinal chemistry 20081127 |
| Manganese(II) pyrimidine-4,6-dicarboxylates: synthetic, structural, magnetic, and adsorption insights. | Inorganic chemistry 20080616 |
| Rational design of 1-D metal-organic frameworks based on the novel pyrimidine-4,6-dicarboxylate ligand. New insights into pyrimidine through magnetic interaction. | Dalton transactions (Cambridge, England : 2003) 20070707 |
| Biomimetic facially amphiphilic antibacterial oligomers with conformationally stiff backbones. | Chemistry & biology 20060401 |
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