Butanedioic acid, acetyl-, dimethyl ester


Chemical Name: Butanedioic acid, acetyl-, dimethyl ester
CAS Number: 10420-33-4
Product Number: AG00382P(AGN-PC-0JLI8X)
Synonyms:
MDL No:
Molecular Formula: C8H12O5
Molecular Weight: 188.1779

Identification/Properties


Computed Properties
Molecular Weight:
188.179g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
188.068g/mol
Monoisotopic Mass:
188.068g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
221
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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



Dimethyl Acetylsuccinate is a versatile chemical compound that finds wide application in chemical synthesis processes. Its unique properties make it an essential building block for the production of various pharmaceuticals, agrochemicals, and specialty chemicals. In particular, Dimethyl Acetylsuccinate is commonly used as a key intermediate in the synthesis of esters, which are important functional groups in organic chemistry. By serving as a source of acetyl and succinyl moieties, Dimethyl Acetylsuccinate enables the formation of complex chemical structures with precise control over stereochemistry and reactivity. Furthermore, its compatibility with a variety of other reagents and catalysts makes it a valuable tool for chemists seeking to design and optimize synthetic routes for the creation of new molecules with specific properties and applications.