Benzoic acid, dimethyl-, methyl ester


Chemical Name: Benzoic acid, dimethyl-, methyl ester
CAS Number: 15012-36-9
Product Number: AG001MCX(AGN-PC-0JKJ5T)
Synonyms:
MDL No: MFCD06203773
Molecular Formula: C10H12O2
Molecular Weight: 164.2011

Identification/Properties


Computed Properties
Molecular Weight:
164.204g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
164.084g/mol
Monoisotopic Mass:
164.084g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
165
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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Chemical Structure



Methyl 2,3-dimethylbenzoate serves as a versatile building block in chemical synthesis due to its unique structural properties. As a key intermediate, it plays a crucial role in the preparation of various pharmaceutical compounds, agrochemicals, and fine chemicals. Its functional groups enable it to participate in a wide range of reactions, including esterification, hydrolysis, and Friedel-Crafts acylation. This compound's reactivity and compatibility with numerous reaction conditions make it an invaluable tool for organic chemists seeking to synthesize complex molecules efficiently and with high yields. Its strategic placement of substituents provides opportunities for selective functionalization, enabling the creation of diverse molecular architectures. Overall, the application of Methyl 2,3-dimethylbenzoate in chemical synthesis offers a powerful and strategic approach for the construction of valuable organic compounds with diverse potential applications.