2-Butenoic acid, 4-(4-methoxyphenyl)-4-oxo-, methyl ester, (E)-


Chemical Name: 2-Butenoic acid, 4-(4-methoxyphenyl)-4-oxo-, methyl ester, (E)-
CAS Number: 32149-29-4
Product Number: AG01E7EV(AGN-PC-0O8W6K)
Synonyms:
MDL No:
Molecular Formula: C12H12O4
Molecular Weight: 220.2213

Identification/Properties


Computed Properties
Molecular Weight:
220.224g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
220.074g/mol
Monoisotopic Mass:
220.074g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
275
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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



2-Butenoic acid, 4-(4-methoxyphenyl)-4-oxo-, methyl ester, (E)-, is a versatile compound widely used in chemical synthesis processes. This compound serves as a key building block in the production of various important compounds including pharmaceuticals, agrochemicals, and specialty chemicals. Its unique molecular structure makes it a valuable intermediate in the synthesis of diverse organic compounds, enabling the creation of new materials with enhanced properties. Its application in chemical synthesis extends to the development of innovative products across different industries, highlighting its significance in the realm of modern chemistry.