Cas no 90035-21-5 (Acetic acid, (triphenylphosphoranylidene)-, 2-methylpropyl ester)

Acetic acid, (triphenylphosphoranylidene)-, 2-methylpropyl ester structure
90035-21-5 structure
Product Name:Acetic acid, (triphenylphosphoranylidene)-, 2-methylpropyl ester
CAS No:90035-21-5
MF:C24H25O2P
MW:376.427867650986
CID:795969
PubChem ID:71430619
Update Time:2025-04-19

Acetic acid, (triphenylphosphoranylidene)-, 2-methylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, (triphenylphosphoranylidene)-, 2-methylpropyl ester
    • 2-methylpropyl 2-(triphenyl-λ<sup>5</sup>-phosphanylidene)acetate
    • 2-Methylpropyl (triphenyl-lambda~5~-phosphanylidene)acetate
    • SCHEMBL2597946
    • DTXSID40849233
    • 90035-21-5
    • Inchi: 1S/C24H25O2P/c1-20(2)18-26-24(25)19-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20H,18H2,1-2H3
    • InChI Key: GKEFAJONPXBYIO-UHFFFAOYSA-N
    • SMILES: P(=CC(=O)OCC(C)C)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 376.15921703g/mol
  • Monoisotopic Mass: 376.15921703g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 454
  • 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: 5.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 36.11000
  • LogP: 3.98190
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