Cas no 1114-73-4 (Nonanoic acid,2-cyano-, ethyl ester)

Nonanoic acid,2-cyano-, ethyl ester structure
1114-73-4 structure
Product Name:Nonanoic acid,2-cyano-, ethyl ester
CAS No:1114-73-4
MF:C12H21NO2
MW:211.30064368248
CID:191799
PubChem ID:276533
Update Time:2025-04-19

Nonanoic acid,2-cyano-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Nonanoic acid,2-cyano-, ethyl ester
    • 2-Cyanononanoic acid ethyl ester
    • ethyl 2-cyanononanoate
    • 2-Cyan-nonansaeure-aethylester
    • 2-Cyan-nonansaeure-ethylester
    • 2-cyano-nonanoic acid ethyl ester
    • NSC124634
    • NSC-124634
    • AKOS017549681
    • 1114-73-4
    • DTXSID40920551
    • Inchi: 1S/C12H21NO2/c1-3-5-6-7-8-9-11(10-13)12(14)15-4-2/h11H,3-9H2,1-2H3
    • InChI Key: RLFOJKJGCRFYMW-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C#N)CCCCCCC)=O

Computed Properties

  • Exact Mass: 211.15733
  • Monoisotopic Mass: 211.157228913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 9
  • Complexity: 217
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4
  • Topological Polar Surface Area: 50.1?2

Experimental Properties

  • PSA: 50.09
  • LogP: 3.04978
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