Cas no 898753-32-7 ( )

  structure
  structure
Product Name: 
CAS No:898753-32-7
MF:C12H13FO3
MW:224.228227376938
CID:872518
PubChem ID:24727405
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-(2-fluorophenyl)-4-oxobutanoate
    • ETHYL 4-(2-FLUOROPHENYL)-4-OXOBUTYRATE
    • AKOS010910873
    • MFCD01320293
    • FT-0748694
    • 898753-32-7
    • ETHYL4-(2-FLUOROPHENYL)-4-OXOBUTYRATE
    • DTXSID80645630
    •  
    • MDL: MFCD01320293
    • Inchi: 1S/C12H13FO3/c1-2-16-12(15)8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
    • InChI Key: NIHGNYNVGSYZIG-UHFFFAOYSA-N
    • SMILES: FC1C=CC=CC=1C(CCC(=O)OCC)=O

Computed Properties

  • Exact Mass: 224.08500
  • Monoisotopic Mass: 224.08487243g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 253
  • 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: 1.8
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.151
  • Boiling Point: 324.2°C at 760 mmHg
  • Flash Point: 145°C
  • Refractive Index: 1.493
  • PSA: 43.37000
  • LogP: 2.35170

  Pricemore >>

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