Cas no 215045-44-6 (3-Methoxypropyl 2-cyanoacetate)

3-Methoxypropyl 2-cyanoacetate structure
215045-44-6 structure
Product Name:3-Methoxypropyl 2-cyanoacetate
CAS No:215045-44-6
MF:C7H11NO3
MW:157.167142152786
CID:253027
PubChem ID:54292337
Update Time:2025-04-19

3-Methoxypropyl 2-cyanoacetate Chemical and Physical Properties

Names and Identifiers

    • 3-Methoxypropyl 2-cyanoacetate
    • Acetic acid, 2-cyano-,3-methoxypropyl ester
    • 3-Methoxy-1-Propylcyanoacetate
    • Acetic acid,2-cyano-,3-methoxypropyl ester
    • 3-Methoxypropyl cyanoacetate
    • F78958
    • DTXSID40710373
    • 3-Methoxypropyl2-cyanoacetate
    • 215045-44-6
    • CS-0449579
    • 2-Cyano-acetic acid 3-methoxypropyl ester
    • SCHEMBL667293
    • DB-331401
    • Inchi: 1S/C7H11NO3/c1-10-5-2-6-11-7(9)3-4-8/h2-3,5-6H2,1H3
    • InChI Key: RYJPEWKGVKSTPH-UHFFFAOYSA-N
    • SMILES: O(C(CC#N)=O)CCCOC

Computed Properties

  • Exact Mass: 157.07400
  • Monoisotopic Mass: 157.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 158
  • 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
  • Topological Polar Surface Area: 59.3A^2
  • XLogP3: 0.2

Experimental Properties

  • PSA: 59.32000
  • LogP: 0.47978

3-Methoxypropyl 2-cyanoacetate Pricemore >>

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