Cas no 13244-67-2 (Phosphonic acid, phenyl-, monooctyl ester)

Phosphonic acid, phenyl-, monooctyl ester structure
13244-67-2 structure
Product Name:Phosphonic acid, phenyl-, monooctyl ester
CAS No:13244-67-2
MF:C14H22O3P
MW:269.29644536972
CID:1230938
PubChem ID:71354532
Update Time:2025-04-20

Phosphonic acid, phenyl-, monooctyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, phenyl-, monooctyl ester
    • octoxy(phenyl)phosphinate
    • OCTYL PHENYLPHOSPHONATE
    • DTXSID50779032
    • 13244-67-2
    • Inchi: 1S/C14H23O3P/c1-2-3-4-5-6-10-13-17-18(15,16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,15,16)/p-1
    • InChI Key: XDRCLAYCMVGNCL-UHFFFAOYSA-M
    • SMILES: P(C1C=CC=CC=1)(=O)([O-])OCCCCCCCC

Computed Properties

  • Exact Mass: 269.13065656g/mol
  • Monoisotopic Mass: 269.13065656g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 9
  • Complexity: 241
  • 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: 3.8
  • Topological Polar Surface Area: 49.4?2
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