Cas no 627-48-5 (ethyl cyanate)

ethyl cyanate structure
ethyl cyanate structure
Product Name:ethyl cyanate
CAS No:627-48-5
MF:C3H5NO
MW:71.0779006481171
MDL:MFCD20484210
CID:433290
PubChem ID:533706
Update Time:2025-04-19

ethyl cyanate Chemical and Physical Properties

Names and Identifiers

    • Cyanic acid, ethyl ester
    • ethyl cyanate
    • JXBPSENIJJPTCI-UHFFFAOYSA-N
    • EN300-3425424
    • 627-48-5
    • cyanoethylate
    • DTXSID70336424
    • MDL: MFCD20484210
    • Inchi: 1S/C3H5NO/c1-2-5-3-4/h2H2,1H3
    • InChI Key: JXBPSENIJJPTCI-UHFFFAOYSA-N
    • SMILES: O(C#N)CC

Computed Properties

  • Exact Mass: 71.03715
  • Monoisotopic Mass: 71.037113783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 1
  • Complexity: 51.2
  • 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: 0.8
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 0.8900
  • Boiling Point: 124°C (rough estimate)
  • Refractive Index: 1.3788
  • PSA: 33.02

ethyl cyanate Pricemore >>

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