Cas no 90250-79-6 (Phosphonic acid, (1-cyanoethyl)-, dimethyl ester)

Phosphonic acid, (1-cyanoethyl)-, dimethyl ester structure
90250-79-6 structure
Product Name:Phosphonic acid, (1-cyanoethyl)-, dimethyl ester
CAS No:90250-79-6
MF:C5H10NO3P
MW:163.111562252045
CID:791304
PubChem ID:13215459
Update Time:2025-04-19

Phosphonic acid, (1-cyanoethyl)-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, (1-cyanoethyl)-, dimethyl ester
    • 2-dimethoxyphosphorylpropanenitrile
    • 90250-79-6
    • DTXSID20528812
    • Dimethyl (1-cyanoethyl)phosphonate
    • SCHEMBL11600629
    • Inchi: 1S/C5H10NO3P/c1-5(4-6)10(7,8-2)9-3/h5H,1-3H3
    • InChI Key: WFZVIZJJHOLQJI-UHFFFAOYSA-N
    • SMILES: P(C(C#N)C)(=O)(OC)OC

Computed Properties

  • Exact Mass: 163.03983018g/mol
  • Monoisotopic Mass: 163.03983018g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 186
  • 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
  • XLogP3: -0.3
  • Topological Polar Surface Area: 59.3?2

Experimental Properties

  • PSA: 69.13000
  • LogP: 1.38438
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