6-Benzofurancarboxylic acid, 4-hydroxy-2-methyl-, methyl ester


Chemical Name: 6-Benzofurancarboxylic acid, 4-hydroxy-2-methyl-, methyl ester
CAS Number: 314725-17-2
Product Number: AG007J5D(AGN-PC-080FQ9)
Synonyms:
MDL No:
Molecular Formula: C11H10O4
Molecular Weight: 206.1947

Identification/Properties


Computed Properties
Molecular Weight:
206.197g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
206.058g/mol
Monoisotopic Mass:
206.058g/mol
Topological Polar Surface Area:
59.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
253
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 4-hydroxy-2-methylbenzofuran-6-carboxylate is a versatile compound commonly used in chemical synthesis. This compound serves as a key building block in the creation of various pharmaceuticals and agrochemicals due to its unique structure and reactivity. In organic synthesis, Methyl 4-hydroxy-2-methylbenzofuran-6-carboxylate can be employed as a starting material for the preparation of heterocyclic compounds with biological activity. Its presence in the synthesis pathway can introduce functional groups or specific structural motifs that are crucial for the desired pharmacological or agricultural properties of the final product. Additionally, this compound can participate in key reactions such as esterification, oxidation, and cyclization to form more complex molecular structures. The versatility of Methyl 4-hydroxy-2-methylbenzofuran-6-carboxylate in chemical synthesis makes it an essential component in the development of various valuable compounds across different industries.