5-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-


Chemical Name: 5-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-
CAS Number: 13626-60-3
Product Number: AG00384W(AGN-PC-0NISEQ)
Synonyms:
MDL No:
Molecular Formula: C4H3NO4
Molecular Weight: 129.0709

Identification/Properties


Computed Properties
Molecular Weight:
129.071g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
129.006g/mol
Monoisotopic Mass:
129.006g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
195
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

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NMR Spectrum


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Chemical Structure



3-Hydroxyisoxazole-5-carboxylic acid is a versatile compound widely used in organic synthesis for the preparation of various compounds with biological activity. With its unique chemical properties, this compound serves as a key building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Its functionality allows for the introduction of diverse chemical groups through reactions such as esterification, amidation, and alkylation, enabling the modification and functionalization of organic molecules. In the pharmaceutical industry, 3-Hydroxyisoxazole-5-carboxylic acid is utilized for the synthesis of drug candidates with potential therapeutic applications, including antiviral, antibacterial, and anticancer agents. Furthermore, its presence in the synthesis of specialty chemicals highlights its significance in the development of advanced materials and compounds for various industries.