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CS-W001157 4
Total: USD 88.00

4-Hydroxy-3-(methoxycarbonyl)benzoic acid

  • CAS No. 41684-11-1

  • Cat. No. CS-0208088
  • Purity≥95%
  • MDL No.MFCD11869747

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

4-Hydroxy-3-(methoxycarbonyl)benzoic acid|CS-0208088

Structure of 41684-11-1

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General Information

  • CAS No. 41684-11-1
  • Cat. No. CS-0208088
  • Purity ≥95%
  • MDL No. MFCD11869747
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₅
  • Molecular Weight 196.16
  • Synonym(s) 4-Hydroxyisophthalic acid 3-methyl ester
  • SMILES O=C(O)C1=CC=C(O)C(C(OC)=O)=C1

Synthesis

  • Route1

    References

    • GLAXO GROUP LIMITED; GLAXOSMITHKLINE (CHINA) RandD COMPANY LIMITED; NICHOLS, Paula Louise; EATHERTON, Andrew John; BAMBOROUGH, Paul; JANDU, Karamjit Singh; PHILPS, Oliver James; ANDREOTTI, Daniele Patent: WO2011/38572 A1, 2011 ; Location in patent: Page/Page column 79 ; WO 2011/038572 A1
  • Route2

    References

    • Dansi et al. Bollettino Chimico Farmaceutico, 1957 , vol. 96, p. 388,390
  • Route3

    References

    • GLAXO GROUP LIMITED; GLAXOSMITHKLINE (CHINA) RandD COMPANY LIMITED; NICHOLS, Paula Louise; EATHERTON, Andrew John; BAMBOROUGH, Paul; JANDU, Karamjit Singh; PHILPS, Oliver James; ANDREOTTI, Daniele Patent: WO2011/38572 A1, 2011 ; WO 2011/038572 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.83
  • LogP   0.877
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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