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


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester
CAS Number: 35691-93-1
Product Number: AG003Q6T(AGN-PC-0JN738)
Synonyms:
MDL No: MFCD00159638
Molecular Formula: C8H12N2O2
Molecular Weight: 168.1931

Identification/Properties


Properties
MP:
66 °C
BP:
284.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.196g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
168.09g/mol
Monoisotopic Mass:
168.09g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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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