1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-methoxy-


Chemical Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-methoxy-
CAS Number: 98232-51-0
Product Number: AG00IK21(AGN-PC-0NI6WP)
Synonyms:
MDL No:
Molecular Formula: C11H12O3
Molecular Weight: 192.2112

Identification/Properties


Computed Properties
Molecular Weight:
192.214g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
192.079g/mol
Monoisotopic Mass:
192.079g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
215
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



8-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, also known as $name$, is a key compound widely utilized in chemical synthesis for its versatile applications. As a cyclic organic compound, it serves as a valuable building block in the creation of various complex molecules and pharmaceutical intermediates. Due to its unique structure and reactivity, $name$ plays a critical role in the synthesis of bioactive compounds, heterocyclic derivatives, and natural product analogs. In particular, it is commonly employed in the construction of drug candidates, agrochemicals, and materials with specific functional properties. Additionally, the incorporation of $name$ in synthetic routes enables chemists to access novel molecular structures and explore innovative strategies for addressing scientific challenges in medicinal chemistry and materials science.