1H-Pyrazole-4-carboxylic acid


Chemical Name: 1H-Pyrazole-4-carboxylic acid
CAS Number: 37718-11-9
Product Number: AG003453(AGN-PC-0KNVWP)
Synonyms:
MDL No: MFCD00011558
Molecular Formula: C4H4N2O2
Molecular Weight: 112.0868

Identification/Properties


Properties
MP:
227 - 228 °C
BP:
417.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
112.088g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
112.027g/mol
Monoisotopic Mass:
112.027g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
104
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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