Cas no 112678-09-8 (4-hydroxy-1-benzofuran-3-carboxylic acid)

4-Hydroxy-1-benzofuran-3-carboxylic acid is a benzofuran derivative with notable applications in pharmaceutical and organic synthesis. Its structure features both a hydroxyl and a carboxylic acid functional group, making it a versatile intermediate for constructing heterocyclic compounds. The compound exhibits favorable reactivity in coupling reactions and serves as a precursor for bioactive molecules, including potential drug candidates. Its stability under standard conditions and compatibility with various synthetic methodologies enhance its utility in research and industrial settings. The presence of multiple functional groups allows for selective modifications, enabling tailored applications in medicinal chemistry and material science.
4-hydroxy-1-benzofuran-3-carboxylic acid structure
112678-09-8 structure
Product Name:4-hydroxy-1-benzofuran-3-carboxylic acid
CAS No:112678-09-8
MF:C9H6O4
MW:178.14154291153
MDL:MFCD09754185
CID:1099345
PubChem ID:10921068
Update Time:2025-06-07

4-hydroxy-1-benzofuran-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-hydroxy-3-Benzofurancarboxylic acid
    • 4-Hydroxybenzofuran-3-carboxylic acid
    • 3-Carboxy-4-fluorobenzeneboronic acid
    • 3-carboxy-4-hydroxy-7-nitroquinoline
    • 3-carboxy-4-hydroxybenzo[b]furan
    • 3-carboxybenzofuran-4-ol
    • 4-fluoro-3-carboxyphenylboronic acid
    • 4-Hydroxy-7-nitrochinolin-3-carboxylsaeure
    • 4-hydroxy-7-nitroquinoline-3-carboxylic acid
    • 5-(dihydroxyboranyl)-2-fluorobenzoic acid
    • 5-(dihydroxyboryl)-2-fluorobenzoic acid
    • 4-hydroxy-1-benzofuran-3-carboxylic acid
    • MFCD09754185
    • AT33319
    • SCHEMBL4064026
    • AKOS006328169
    • Z1198223688
    • 112678-09-8
    • 4-hydroxybenzofuran-3-carboxylicAcid
    • DB-082962
    • EN300-120222
    • CS-0441239
    • MDL: MFCD09754185
    • Inchi: 1S/C9H6O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h1-4,10H,(H,11,12)
    • InChI Key: NSGVRMQSCRVAOQ-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)O)C2C(=CC=CC1=2)O

Computed Properties

  • Exact Mass: 177.04300
  • Monoisotopic Mass: 178.02660867g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 216
  • 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: 1.5
  • Topological Polar Surface Area: 70.7?2

Experimental Properties

  • PSA: 73.32000
  • LogP: 1.57170

4-hydroxy-1-benzofuran-3-carboxylic acid Pricemore >>

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