Cas no 89269-55-6 (2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester)

2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester structure
89269-55-6 structure
Product Name:2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester
CAS No:89269-55-6
MF:C11H17NO4
MW:227.2569835186
CID:605920
PubChem ID:71323267
Update Time:2025-04-19

2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester
    • 3-ethoxypropyl 2-cyano-3-ethoxyprop-2-enoate
    • 89269-55-6
    • DTXSID00752875
    • Inchi: 1S/C11H17NO4/c1-3-14-6-5-7-16-11(13)10(8-12)9-15-4-2/h9H,3-7H2,1-2H3
    • InChI Key: IAFAGQUWUWOUOE-UHFFFAOYSA-N
    • SMILES: O(CC)CCCOC(C(C#N)=COCC)=O

Computed Properties

  • Exact Mass: 227.11575802g/mol
  • Monoisotopic Mass: 227.11575802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 9
  • Complexity: 277
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 1.2
  • Topological Polar Surface Area: 68.6?2
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