3-Pyridazinecarboxylic acid, methyl ester


Chemical Name: 3-Pyridazinecarboxylic acid, methyl ester
CAS Number: 34253-02-6
Product Number: AG00C7LR(AGN-PC-00KG8B)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O2
Molecular Weight: 138.1240

Identification/Properties


Properties
MP:
139℃(Solv: ethyl ether (60-29-7))
BP:
281.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
138.126g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
138.043g/mol
Monoisotopic Mass:
138.043g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
127
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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