Cas no 60251-91-4 (Propanoic acid, 2-(4-fluorophenoxy)-, (S)-)

Propanoic acid, 2-(4-fluorophenoxy)-, (S)- structure
60251-91-4 structure
Product Name:Propanoic acid, 2-(4-fluorophenoxy)-, (S)-
CAS No:60251-91-4
MF:C9H9FO3
MW:184.164366483688
CID:498539
PubChem ID:7022539
Update Time:2025-04-19

Propanoic acid, 2-(4-fluorophenoxy)-, (S)- Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-(4-fluorophenoxy)-, (S)-
    • Inchi: 1S/C9H9FO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)/t6-/m0/s1
    • InChI Key: WIVLMXDHGGRLMP-LURJTMIESA-N
    • SMILES: FC1C=CC(=CC=1)O[C@H](C(=O)O)C

Computed Properties

  • Exact Mass: 184.05357
  • Monoisotopic Mass: 184.05357231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
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