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CS-W001157 4
Total: USD 88.00

2-(3-Oxoisobenzofuran-1(3H)-ylidene)acetic acid

  • CAS No. 4743-57-1

  • Cat. No. CS-0323094
  • Purity95+%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-(3-Oxoisobenzofuran-1(3H)-ylidene)acetic acid|CS-0323094

Structure of 4743-57-1

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General Information

  • CAS No. 4743-57-1
  • Cat. No. CS-0323094
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆O₄
  • Molecular Weight 190.15
  • Synonym(s) Acetic acid, (3-oxo-1(3H)-isobenzofuranylidene)-
  • SMILES O=C(O)C=C1OC(C2=C1C=CC=C2)=O

Synthesis

  • Route1
    • null|null
      85-44-9
    • null|null
      108-24-7
    • ~49%
    • 2-(3-Oxoisobenzofuran-1(3H)-ylidene)acetic acid|CS-0323094
      4743-57-1

    References

    • Briner, Karin; Doecke, Christopher William; Mancuso, Vincent; Martinelli, Michael John; Richardson, Timothy Ivo; Rothhaar, Roger Ryan; Shi, Qing; Xie, Chaoyu Patent: US2004/82590 A1, 2004 ; Location in patent: Page/Page column 97 ; US 20040082590 A1
  • Route2

    References

    • Hanack, Michael; Zipplies, Tilman Journal of the American Chemical Society, 1985 , vol. 107, # 21 p. 6127 - 6129
  • Route3
    • null|null
      53266-48-1
    • ~%
    • 2-(3-Oxoisobenzofuran-1(3H)-ylidene)acetic acid|CS-0323094
      4743-57-1

    References

    • Gabriel Chemische Berichte, 1884 , vol. 17, p. 2527 Chemische Berichte, 1885 , vol. 18, p. 2444

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319
Precautionary Statements : P264-P270-P280-P305+P351+P338-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.2825
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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