Cas no 1104-78-5 (Dimethyl 2-(triphenyl-λ5-phosphanylidene)butanedioate)

Dimethyl 2-(triphenyl-λ5-phosphanylidene)butanedioate structure
1104-78-5 structure
Product Name:Dimethyl 2-(triphenyl-λ5-phosphanylidene)butanedioate
CAS No:1104-78-5
MF:C24H23O4P
MW:406.410787820816
CID:1193735
PubChem ID:631493
Update Time:2025-04-20

Dimethyl 2-(triphenyl-λ5-phosphanylidene)butanedioate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 2-(triphenyl-λ5-phosphanylidene)butanedioate
    • AC1LCJC0
    • Triphenylphosphin-methoxycarbonylmethyl-methoxycarbonylmethylen
    • Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester
    • CTK0G2130
    • dimethyl 2-(triphenylphosphoranylidene)succinate
    • Succinic acid, (triphenylphosphoranylidene)-, dimethyl ester
    • 2-(Triphenylphosphoranylidene)butanedioic acid dimethyl ester
    • 2-(Triphenylphosphoranylidene)succinic acid dimethyl ester
    • QPWAALDFLDDMIK-UHFFFAOYSA-N
    • 1104-78-5
    • DTXSID40348170
    • dimethyl triphenylphosphoranylidene succinate
    • dimethyl 2-(triphenyl-lambda5-phosphanylidene)butanedioate
    • Dimethyl 2-(triphenylphosphoranylidene)succinate #
    • SCHEMBL5659845
    • Dimethyl 2-(triphenyl-λ5-phosphanylidene)butanedioate
    • Inchi: 1S/C24H23O4P/c1-27-23(25)18-22(24(26)28-2)29(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,18H2,1-2H3
    • InChI Key: QPWAALDFLDDMIK-UHFFFAOYSA-N
    • SMILES: P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)=C(C(=O)OC)CC(=O)OC

Computed Properties

  • Exact Mass: 406.13349
  • Monoisotopic Mass: 406.13339621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 8
  • Complexity: 556
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
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