Cas no 17109-93-2 (Propanedioic acid,2-(cyanomethyl)-, 1,3-diethyl ester)

Propanedioic acid,2-(cyanomethyl)-, 1,3-diethyl ester structure
17109-93-2 structure
Product Name:Propanedioic acid,2-(cyanomethyl)-, 1,3-diethyl ester
CAS No:17109-93-2
MF:C9H13NO4
MW:199.203822851181
CID:231205
PubChem ID:272015
Update Time:2025-09-27

Propanedioic acid,2-(cyanomethyl)-, 1,3-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-(cyanomethyl)-, 1,3-diethyl ester
    • diethyl 2-(cyanomethyl)propanedioate
    • AC1L6R6T
    • AC1Q4RZ9
    • AG-K-92803
    • AR-1I4998
    • CTK4D3825
    • Cyanmethyl-malonsaeure-diaethylester
    • Cyanmethylmalonsaeure-diethylester
    • cyanomethyl-malonic acid diethyl ester
    • diethyl 2-(cyanomethyl)malonate
    • diethyl(cyanomethyl)propanedioate
    • ethyl 2-carboethoxy-3-cyano propionate
    • NSC116053
    • AKOS023412479
    • F8880-8708
    • 17109-93-2
    • 1,3-diethyl 2-(cyanomethyl)propanedioate
    • SCHEMBL9656881
    • NSC-116053
    • DTXSID70297460
    • FHPUWLWRKKFWPV-UHFFFAOYSA-N
    • Diethyl2-(cyanomethyl)malonate
    • 2-(Cyanomethyl)malonic acid diethyl ester
    • diethyl (cyanomethyl)propanedioate
    • Propanedioic acid, (cyanomethyl)-, diethyl ester
    • Inchi: 1S/C9H13NO4/c1-3-13-8(11)7(5-6-10)9(12)14-4-2/h7H,3-5H2,1-2H3
    • InChI Key: FHPUWLWRKKFWPV-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)CC#N)=O

Computed Properties

  • Exact Mass: 199.08449
  • Monoisotopic Mass: 199.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 235
  • 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: 0.6
  • Topological Polar Surface Area: 76.4?2

Experimental Properties

  • Density: 1.12
  • Boiling Point: 307.7°Cat760mmHg
  • Flash Point: 133.4°C
  • Refractive Index: 1.443
  • PSA: 76.39
  • LogP: 0.64248

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