1H-Pyrazole-3-carboxylic acid, 5-(2-thienyl)-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-(2-thienyl)-, ethyl ester
CAS Number: 121195-03-7
Product Number: AG003Q69(AGN-PC-0KK7UR)
Synonyms:
MDL No: MFCD07772880
Molecular Formula: C10H10N2O2S
Molecular Weight: 222.2636

Identification/Properties


Properties
MP:
138-140°C
BP:
430°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
222.262g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
222.046g/mol
Monoisotopic Mass:
222.046g/mol
Topological Polar Surface Area:
83.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
238
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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