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CS-W001157 4
Total: USD 88.00

Pyromeconic acid

  • CAS No. 496-63-9

  • Cat. No. CS-D1527
  • Purity≥98%
  • MDL No.MFCD09863957

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

Pyromeconic acid|CS-D1527

Structure of 496-63-9

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General Information

  • CAS No. 496-63-9
  • Cat. No. CS-D1527
  • Purity ≥98%
  • MDL No. MFCD09863957
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄O₃
  • Molecular Weight 112.08
  • Synonym(s) None
  • SMILES O=C1C(O)=COC=C1

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME CORP.; WOLKENBERG, Scott; BARROW, James, C.; POSLUSNEY, Michael, S.; HARRISON, Scott, T.; TROTTER, B. Wesley; MULHEARN, James; NANDA, Kausik, K.; MANLEY, Peter, J.; ZHAO, Zhijian; SCHUBERT, Jeffrey, W.; KETT, Nathan; ZARTMAN, Amy Patent: WO2011/109254 A1, 2011 ; Location in patent: Page/Page column 128 ; WO 2011/109254 A1
  • Route2

    References

    • Ellis, Beverley L.; Duhme, Anne K.; Hider, Robert C.; Hossain, M. Bilayet; Rizvi, Safia; Van Der Helm, Dick Journal of Medicinal Chemistry, 1996 , vol. 39, # 19 p. 3659 - 3670
  • Route3
    • null|null
      98-00-0
    • ~%
    • In-stock
      Pyromeconic acid|CS-D1527
      496-63-9

    References

    • Liu, Zu D.; Khodr, Hicham H.; Liu, Ding Y.; Lu, Shu L.; Hider, Robert C. Journal of Medicinal Chemistry, 1999 , vol. 42, # 23 p. 4814 - 4823

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   0.3454
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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