Cas no 69888-90-0 (3-(3-Fluoro-4-methoxyphenyl)propanoic acid)

3-(3-Fluoro-4-methoxyphenyl)propanoic acid is a fluorinated aromatic carboxylic acid derivative with applications in pharmaceutical and organic synthesis. Its key structural features include a fluorine substituent and a methoxy group on the phenyl ring, which enhance its reactivity and potential as a building block for bioactive compounds. The propanoic acid moiety provides versatility for further functionalization, such as esterification or amidation. This compound is particularly valuable in medicinal chemistry for designing enzyme inhibitors or receptor modulators due to its electron-withdrawing and steric effects. High purity and consistent quality ensure reliable performance in research and industrial processes. Its stability under standard conditions makes it suitable for long-term storage and handling.
3-(3-Fluoro-4-methoxyphenyl)propanoic acid structure
69888-90-0 structure
Product Name:3-(3-Fluoro-4-methoxyphenyl)propanoic acid
CAS No:69888-90-0
MF:C10H11FO3
MW:198.190946817398
MDL:MFCD06823839
CID:516217
PubChem ID:3017966
Update Time:2025-05-28

3-(3-Fluoro-4-methoxyphenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3-Fluoro-4-methoxyphenyl)propanoic acid
    • 3-(3-fluoro-4-methoxyphenyl)propionic acid
    • Benzenepropanoic acid,3-fluoro-4-methoxy-
    • AC1MI5OT
    • AC1Q45L8
    • AG-G-72696
    • CTK5D1498
    • EINECS 274-186-9
    • SureCN585819
    • KBFWVRMLCVYIRL-UHFFFAOYSA-N
    • 0820AC
    • SBB084098
    • 3-Fluoro-4-methoxybenzenepropionic acid
    • SY035666
    • ST2404730
    • AB0000715
    • 3-Fluoro-4-methoxy-benzenepropanoic acid
    • Z169861818
    • AS-65373
    • AMY4087
    • Y10323
    • EN300-24194
    • AKOS000119231
    • WLZ3299
    • CS-0094414
    • MFCD06823839
    • SCHEMBL585819
    • DTXSID10990165
    • A866724
    • 69888-90-0
    • NS00061866
    • A1-24009
    • 3-(3-Fluoro-4-methoxyphenyl)propionicacid
    • MDL: MFCD06823839
    • Inchi: 1S/C10H11FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
    • InChI Key: KBFWVRMLCVYIRL-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC(=C1)CCC(=O)O)OC

Computed Properties

  • Exact Mass: 198.06923
  • Monoisotopic Mass: 198.069222
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 196
  • 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
  • Topological Polar Surface Area: 46.5
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.226
  • Boiling Point: 321.5°C at 760 mmHg
  • Flash Point: 148.2°C
  • Refractive Index: 1.514
  • PSA: 46.53

3-(3-Fluoro-4-methoxyphenyl)propanoic acid Pricemore >>

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