1,3-Cyclohexanedione, 5-(3,4-dimethoxyphenyl)-


Chemical Name: 1,3-Cyclohexanedione, 5-(3,4-dimethoxyphenyl)-
CAS Number: 190064-28-9
Product Number: AG002EAT(AGN-PC-0JX2B4)
Synonyms:
MDL No:
Molecular Formula: C14H16O4
Molecular Weight: 248.2744

Identification/Properties


Properties
MP:
163.7° - 165.2°C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
248.278g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
248.105g/mol
Monoisotopic Mass:
248.105g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
310
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-(3,4-Dimethoxyphenyl)-1,3-cyclohexanedione is a versatile compound widely utilized in chemical synthesis as a key building block for the creation of various functional molecules. Its unique structure allows for selective modification and incorporation into complex organic frameworks, making it an indispensable tool in the development of novel materials and pharmaceuticals. In chemical synthesis, this compound serves as a crucial intermediate in the synthesis of biologically active compounds, natural products, and pharmaceutical agents. Its use extends to the development of innovative materials with specific properties, as well as in the elucidation of reaction mechanisms and pathways. As a valuable reagent in the hands of synthetic chemists, 5-(3,4-Dimethoxyphenyl)-1,3-cyclohexanedione plays a fundamental role in the advancement of modern organic chemistry and the discovery of new compounds with potential applications across various industries.