Cas no 56197-54-7 ( )

  structure
  structure
Product Name: 
CAS No:56197-54-7
MF:C11H18O3
MW:198.258823871613
CID:945020
PubChem ID:266707
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-oxo-1-propylcyclopentane-1-carboxylate
    • DTXSID40295771
    • DB-119159
    • NSC-105453
    • SCHEMBL4811574
    • ethyl 2-oxo-1-propylcyclopentanecarboxylate
    • NCIOpen2_002035
    • 56197-54-7
    • NSC105453
    •  
    • Inchi： 1S/C11H18O3/c1-3-7-11(10(13)14-4-2)8-5-6-9(11)12/h3-8H2,1-2H3
    • InChI Key： BPGJLUDRCMKYMP-UHFFFAOYSA-N
    • SMILES： O=C1CCCC1(C(=O)OCC)CCC

Computed Properties

  • Exact Mass: 198.12564
  • Monoisotopic Mass: 198.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 235
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

  Related Literature

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