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Pyridazine-4-carboxylic acid

CAS No.:
50681-25-9
Catalog Number:
AG003454
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$188
- +
25g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG003454
Chemical Name:
Pyridazine-4-carboxylic acid
CAS Number:
50681-25-9
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
MDL Number:
MFCD00011576
IUPAC Name:
pyridazine-4-carboxylic acid
InChI:
InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
InChI Key:
JUSIWJONLKBPDU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnnc1
EC Number:
610-561-9
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.027g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.099g/mol
Monoisotopic Mass:
124.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Poly[di-μ(2)-aqua-μ(2)-(5-methyl-pyrazine-2-carboxyl-ato)-(5-methyl-pyrazine-2-carboxyl-ato)-μ(3)-nitrato-trilithium]. Acta crystallographica. Section E, Structure reports online 20110701
Poly[aqua-(μ(3)-pyridazine-4-carboxyl-ato-κO:O:O')lithium]. Acta crystallographica. Section E, Structure reports online 20110401
trans-Tetra-aqua-bis-(pyridazine-4-car-box-yl-ato-κO)magnesium(II) dihydrate. Acta crystallographica. Section E, Structure reports online 20110301
Poly[aqua-(μ-pyrazine-2-carboxyl-ato-κN,O:O)(μ-pyrazine-2-carboxyl-ato-κN,O:O')lead(II)]. Acta crystallographica. Section E, Structure reports online 20100501
Di-μ-aqua-bis-(μ-pyridazine-4-carboxyl-ato-κN:N')bis-[triaqua-(pyridazine-4-carboxyl-ato-κO,O')lead(II)] dihydrate. Acta crystallographica. Section E, Structure reports online 20091101
4-Carboxy-pyridazin-1-ium chloride. Acta crystallographica. Section E, Structure reports online 20080801
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties