5-Methyl-1H-Pyrazole-3-Carboxylic Acid


Chemical Name: 5-Methyl-1H-Pyrazole-3-Carboxylic Acid
CAS Number: 402-61-9
Product Number: AG00BYO6(AGN-PC-0WABJ1)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O2
Molecular Weight: 126.1133

Identification/Properties


Properties
MP:
241 °C
BP:
388.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
Soluble in dimethyl sulfoxide.
Computed Properties
Molecular Weight:
126.115g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
126.043g/mol
Monoisotopic Mass:
126.043g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
126
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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