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


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-, ethyl ester
CAS Number: 5744-51-4
Product Number: AG003Q0B(AGN-PC-0JMQ7O)
Synonyms:
MDL No:
Molecular Formula: C8H12N2O2
Molecular Weight: 168.1931

Identification/Properties


Properties
MP:
39-41°C
BP:
258.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.196g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
168.09g/mol
Monoisotopic Mass:
168.09g/mol
Topological Polar Surface Area:
44.1A^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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