Cas no 104796-30-7 (3,5-Dimethoxybenzofuran-2-carboxylic acid)

3,5-Dimethoxybenzofuran-2-carboxylic acid is a substituted benzofuran derivative characterized by its methoxy functional groups at the 3- and 5-positions and a carboxylic acid moiety at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and fine chemicals. Its structural features, including the electron-rich benzofuran core and the reactive carboxyl group, facilitate further functionalization through coupling, esterification, or amidation reactions. The dimethoxy substituents enhance solubility and influence electronic properties, making it valuable for designing bioactive molecules. High purity and consistent quality ensure reliable performance in research and industrial applications.
3,5-Dimethoxybenzofuran-2-carboxylic acid structure
104796-30-7 structure
Product Name:3,5-Dimethoxybenzofuran-2-carboxylic acid
CAS No:104796-30-7
MF:C11H10O5
MW:222.194103717804
MDL:MFCD25954862
CID:1035094
PubChem ID:13682653
Update Time:2025-06-07

3,5-Dimethoxybenzofuran-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dimethoxybenzofuran-2-carboxylic acid
    • 3,5-Dimethoxy-1-benzofuran-2-carboxylic acid
    • 2-Benzofurancarboxylic acid, 3,5-dimethoxy-
    • 3,5-dimethoxy-2-benzofurancarboxylic acid
    • AGN-PC-00NK9Z
    • AK130209
    • KB-234243
    • SureCN6234986
    • DTXSID60546631
    • SCHEMBL6234986
    • A906893
    • 3,5-Dimethoxybenzofuran-2-carboxylicacid
    • DB-228468
    • 104796-30-7
    • WHPMRULHYMBNDV-UHFFFAOYSA-N
    • MDL： MFCD25954862
    • Inchi： 1S/C11H10O5/c1-14-6-3-4-8-7(5-6)9(15-2)10(16-8)11(12)13/h3-5H,1-2H3,(H,12,13)
    • InChI Key： WHPMRULHYMBNDV-UHFFFAOYSA-N
    • SMILES： O1C(C(=O)O)=C(C2C=C(C=CC1=2)OC)OC

Computed Properties

  • Exact Mass: 222.0528
  • Monoisotopic Mass: 222.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 267
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 68.9?2

Experimental Properties

  • PSA: 68.9

3,5-Dimethoxybenzofuran-2-carboxylic acid Security Information

  • Storage Condition：Sealed in dry,2-8°C

3,5-Dimethoxybenzofuran-2-carboxylic acid Pricemore >>

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