Home Carboxys 3,6-Pyridazinedicarboxylic acid

3,6-Pyridazinedicarboxylic acid

CAS No.:
57266-70-3
Catalog Number:
AG00ECPO
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$374
- +
5g
97%
1 week
United States
$1048
- +
Product Description
Catalog Number:
AG00ECPO
Chemical Name:
3,6-Pyridazinedicarboxylic acid
CAS Number:
57266-70-3
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
MDL Number:
MFCD01318693
IUPAC Name:
pyridazine-3,6-dicarboxylic acid
InChI:
InChI=1S/C6H4N2O4/c9-5(10)3-1-2-4(6(11)12)8-7-3/h1-2H,(H,9,10)(H,11,12)
InChI Key:
FJPJFQGISLJONZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nn1)C(=O)O
NSC Number:
174675
Properties
Complexity:
184  
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:
-0.4  
Literature
Title Journal
Poly[hydrazin-1-ium [diaqua-bis-(μ(4)-pyridazine-3,6-dicarboxyl-ato)trilithate] monohydrate]. Acta crystallographica. Section E, Structure reports online 20120401
Bis(hydrazin-1-ium) bis-(μ(2)-pyridazine-3,6-dicarboxyl-ato)bis-(aqua-lithiate) octa-aqua-bis-(μ(3)-pyridazine-3,6-dicarboxyl-ato)tetra-lithium. Acta crystallographica. Section E, Structure reports online 20120301
catena-Poly[[μ(2)-aqua-diaqua-bis-(μ(4)-pyridazine-3,6-dicarboxyl-ato)tetra-lithium] monohydrate]. Acta crystallographica. Section E, Structure reports online 20111001
Bis[[(6-carb-oxy-pyridazine-3-carboxyl-ato-κN,O)lithium]-μ-penta-hydrogen-dioxy-gen(1+)]. Acta crystallographica. Section E, Structure reports online 20101101
trans-Diaqua-bis(6-methoxycarbonyl-pyridazine-3-carboxyl-ato-κN,O)zinc(II) dihydrate. Acta crystallographica. Section E, Structure reports online 20090601
Hydrazinediium bis-(6-carboxy-pyridazine-3-carboxyl-ate) dihydrate. Acta crystallographica. Section E, Structure reports online 20080201
Metal-coordination-directed assembly of binuclear trigonal prisms and three-dimensional hydrogen-bonded networks. Inorganic chemistry 20070709
Properties