5-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiophene-2-carboxylic acid


Chemical Name: 5-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiophene-2-carboxylic acid
CAS Number: 790681-94-6
Product Number: AG00G30B(AGN-PC-0WBUZ4)
Synonyms:
MDL No: MFCD05885515
Molecular Formula: C13H10O4S
Molecular Weight: 262.2811

Identification/Properties


Computed Properties
Molecular Weight:
262.28g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
262.02998g/mol
Monoisotopic Mass:
262.02998g/mol
Topological Polar Surface Area:
84Ų
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
322
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



5-(2,3-Dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid is a versatile compound widely utilized in chemical synthesis for its unique properties. This compound serves as a valuable building block in the creation of novel molecules with diverse applications. Its structural features make it an ideal candidate for use in organic synthesis reactions, particularly in the formation of complex heterocyclic compounds. Additionally, the presence of the benzodioxin moiety imparts specific reactivity that can be harnessed for the development of targeted drug molecules and functional materials. The incorporation of this compound in chemical reactions facilitates the formation of sophisticated molecular frameworks, making it a valuable tool for synthetic chemists in the creation of innovative compounds.