5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid


Chemical Name: 5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
CAS Number: 1169491-14-8
Product Number: AG000DEQ(AGN-PC-03HZ1H)
Synonyms:
MDL No:
Molecular Formula: C8H8O3S
Molecular Weight: 184.2123

Identification/Properties


Computed Properties
Molecular Weight:
184.209g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
184.019g/mol
Monoisotopic Mass:
184.019g/mol
Topological Polar Surface Area:
74.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
195
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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NMR Spectrum


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Chemical Structure



The compound 5,7-Dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid serves as a valuable building block in chemical synthesis processes. With its unique molecular structure and reactivity, this compound is widely utilized in the formation of various heterocyclic compounds. Its presence in synthetic pathways contributes to the creation of diverse pharmaceuticals, agrochemicals, and materials with specific functional properties. Furthermore, the incorporation of 5,7-Dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid in chemical reactions enables the generation of novel molecular structures, making it an essential component in the realm of organic synthesis.