3-Isoxazolecarboxylic acid, 5-methyl-, ethyl ester


Chemical Name: 3-Isoxazolecarboxylic acid, 5-methyl-, ethyl ester
CAS Number: 3209-72-1
Product Number: AG0034VQ(AGN-PC-0CD1G2)
Synonyms:
MDL No:
Molecular Formula: C7H9NO3
Molecular Weight: 155.1513

Identification/Properties


Properties
MP:
25 °C
BP:
246.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
155.153g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
155.058g/mol
Monoisotopic Mass:
155.058g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
11
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 5-methylisoxazole-3-carboxylate, a versatile compound widely utilized in chemical synthesis, serves as a valuable building block for the creation of various organic molecules. Due to its unique structure and functional groups, this compound plays a crucial role in the development of diverse chemical reactions and processes. From the formation of complex pharmaceutical intermediates to the synthesis of novel materials with specific properties, Ethyl 5-methylisoxazole-3-carboxylate showcases exceptional reactivity and compatibility in a range of synthetic pathways. Its strategic incorporation in organic transformations enables the efficient construction of molecular structures with tailored properties and functionalities, highlighting its significance in the realm of modern chemical synthesis.