Cas no 854678-45-8 (3-(3,5-Dimethoxyphenoxy)propanoic acid)

3-(3,5-Dimethoxyphenoxy)propanoic acid is a synthetic aromatic carboxylic acid derivative characterized by its dimethoxy-substituted phenoxy backbone. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features, including the ether linkage and carboxylic acid functionality, enhance its reactivity in coupling and derivatization reactions. The dimethoxy groups contribute to electron-rich aromatic properties, facilitating selective modifications. The compound exhibits good solubility in polar organic solvents, making it suitable for diverse synthetic applications. Its stability under standard conditions ensures reliable handling and storage, while its well-defined structure allows for precise incorporation into complex molecular frameworks.
3-(3,5-Dimethoxyphenoxy)propanoic acid structure
854678-45-8 structure
Product Name:3-(3,5-Dimethoxyphenoxy)propanoic acid
CAS No:854678-45-8
MF:C11H14O5
MW:226.225863933563
CID:844359
PubChem ID:13297269
Update Time:2025-06-09

3-(3,5-Dimethoxyphenoxy)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3,5-Dimethoxyphenoxy)propanoic acid
    • 854678-45-8
    • CS-0365591
    • SCHEMBL22578056
    • 3-(3,5-Dimethoxyphenoxy)propanoicacid
    • AKOS000129940
    • DTXSID30535491
    • G80974
    • DB-098862
    • MDL： MFCD09046143
    • Inchi： 1S/C11H14O5/c1-14-8-5-9(15-2)7-10(6-8)16-4-3-11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)
    • InChI Key： RWIPANMPPLQSDB-UHFFFAOYSA-N
    • SMILES： O(CCC(=O)O)C1C=C(C=C(C=1)OC)OC

Computed Properties

  • Exact Mass: 226.08412354g/mol
  • Monoisotopic Mass: 226.08412354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 206
  • 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: 1.3
  • Topological Polar Surface Area: 65?2

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