1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-
CAS Number: 113808-86-9
Product Number: AG0009QO(AGN-PC-0KKXBZ)
Synonyms:
MDL No: MFCD00159642
Molecular Formula: C6H8N2O2
Molecular Weight: 140.1399

Identification/Properties


Properties
MP:
273 °C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
140.142g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
140.059g/mol
Monoisotopic Mass:
140.059g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
149
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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