Cas no 61733-60-6 (Phosphonic acid, phenyl-, ethyl methyl ester)

Phosphonic acid, phenyl-, ethyl methyl ester structure
61733-60-6 structure
Product Name:Phosphonic acid, phenyl-, ethyl methyl ester
CAS No:61733-60-6
MF:C9H13O3P
MW:200.171483755112
CID:468122
PubChem ID:12635840
Update Time:2025-04-19

Phosphonic acid, phenyl-, ethyl methyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, phenyl-, ethyl methyl ester
    • [ethoxy(methoxy)phosphoryl]benzene
    • Ethyl methyl phenylphosphonate
    • SCHEMBL18261810
    • 61733-60-6
    • DTXSID60505182
    • Inchi: 1S/C9H13O3P/c1-3-12-13(10,11-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
    • InChI Key: YDEBUXIHAJWXQR-UHFFFAOYSA-N
    • SMILES: P(C1C=CC=CC=1)(=O)(OC)OCC

Computed Properties

  • Exact Mass: 200.06029
  • Monoisotopic Mass: 200.06023127g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 187
  • 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: 1.3
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
  • LogP: 2.18790
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