Cas no 33398-36-6 (Phosphonium, [(2E)-4-ethoxy-4-oxo-2-butenyl]triphenyl-, bromide)

Phosphonium, [(2E)-4-ethoxy-4-oxo-2-butenyl]triphenyl-, bromide structure
33398-36-6 structure
Product Name:Phosphonium, [(2E)-4-ethoxy-4-oxo-2-butenyl]triphenyl-, bromide
CAS No:33398-36-6
MF:C24H24BrO2P
MW:455.323926925659
CID:1464971
PubChem ID:71447171
Update Time:2025-04-20

Phosphonium, [(2E)-4-ethoxy-4-oxo-2-butenyl]triphenyl-, bromide Chemical and Physical Properties

Names and Identifiers

    • Phosphonium, [(2E)-4-ethoxy-4-oxo-2-butenyl]triphenyl-, bromide
    • (4-ethoxy-4-oxobut-2-enyl)-triphenylphosphanium,bromide
    • 33398-36-6
    • (4-Ethoxy-4-oxobut-2-en-1-yl)(triphenyl)phosphanium bromide
    • DTXSID30855505
    • Inchi: 1S/C24H24O2P.BrH/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-19H,2,20H2,1H3;1H/q+1;/p-1
    • InChI Key: ODGGPXZLYQEURA-UHFFFAOYSA-M
    • SMILES: [Br-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC=CC(=O)OCC

Computed Properties

  • Exact Mass: 429.8819
  • Monoisotopic Mass: 454.06973g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 8
  • Complexity: 423
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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