1H-Pyrazole-3-carboxylic acid, 4-methyl-


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 4-methyl-
CAS Number: 82231-51-4
Product Number: AG003LSK(AGN-PC-0OIO38)
Synonyms:
MDL No: MFCD16495896
Molecular Formula: C5H6N2O2
Molecular Weight: 126.1133

Identification/Properties


Properties
BP:
389.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
126.115g/mol
XLogP3:
0.4
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


NMR Spectrum


Other Analytical Data


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