Benzoic acid, 2-hydroxy-4-methyl-, methyl ester


Chemical Name: Benzoic acid, 2-hydroxy-4-methyl-, methyl ester
CAS Number: 4670-56-8
Product Number: AG003RO4(AGN-PC-0JLRC6)
Synonyms:
MDL No:
Molecular Formula: C9H10O3
Molecular Weight: 166.1739

Identification/Properties


Properties
MP:
27-28℃
BP:
241.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.5370
Computed Properties
Molecular Weight:
166.176g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
166.063g/mol
Monoisotopic Mass:
166.063g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
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



Methyl 2-hydroxy-4-methylbenzoate is a versatile compound that is commonly used in chemical synthesis. Its primary application lies in its role as a key building block in the creation of various pharmaceuticals, fragrances, and flavoring agents. This compound serves as a crucial intermediate in organic synthesis, facilitating the production of a wide range of valuable molecules with diverse applications. Its unique chemical structure and reactivity make it a valuable tool in the creation of complex organic compounds with specific desired properties.