Cas no 20677-03-6 (Phosphonic acid, phenyl-, dipropyl ester)

Phosphonic acid, phenyl-, dipropyl ester structure
20677-03-6 structure
Product Name:Phosphonic acid, phenyl-, dipropyl ester
CAS No:20677-03-6
MF:C12H19O3P
MW:242.251224756241
CID:1399549
PubChem ID:11736632
Update Time:2025-04-20

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

Names and Identifiers

    • Phosphonic acid, phenyl-, dipropyl ester
    • dipropoxyphosphorylbenzene
    • SCHEMBL500627
    • 20677-03-6
    • DTXSID30471406
    • Inchi: 1S/C12H19O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
    • InChI Key: PXGLYSITKOROKV-UHFFFAOYSA-N
    • SMILES: P(C1C=CC=CC=1)(=O)(OCCC)OCCC

Computed Properties

  • Exact Mass: 242.10727
  • Monoisotopic Mass: 242.10718146g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 212
  • 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: 2.8
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

Phosphonic acid, phenyl-, dipropyl ester Related Literature

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