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CS-W001157 4
Total: USD 88.00

2-(1-Carboxyethyl)benzoic acid

  • CAS No. 40570-19-2

  • Cat. No. CS-0581268
  • Molecule weight194.18
  • Purity≥98%
  • MDL No.None

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

2-(1-Carboxyethyl)benzoic acid|CS-0581268

Structure of 40570-19-2

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General Information

  • CAS No. 40570-19-2
  • Cat. No. CS-0581268
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) 5-metilistamina diclorinato
  • SMILES CC(C1=CC=CC=C1C(=O)O)C(=O)O

Synthesis

  • Route1
    • null|null
      104292-98-0
    • ~93%
    • 2-(1-Carboxyethyl)benzoic acid|CS-0581268
      40570-19-2

    References

    • Billamboz, Muriel; Bailly, Fabrice; Lion, Cedric; Calmels, Christina; Andreola, Marie-Line; Witvrouw, Myriam; Christ, Frauke; Debyser, Zeger; De Luca, Laura; Chimirri, Alba; Cotelle, Philippe European Journal of Medicinal Chemistry, 2011 , vol. 46, # 2 p. 535 - 546
  • Route2

    References

    • Kita, Yasuyuki; Akai, Shuji; Ajimura, Naomi; Yoshigi, Mayumi; Tsugoshi, Teruhisa; et al. Journal of Organic Chemistry, 1986 , vol. 51, # 22 p. 4150 - 4158
  • Route3

    References

    • Billamboz, Muriel; Bailly, Fabrice; Lion, Cedric; Calmels, Christina; Andreola, Marie-Line; Witvrouw, Myriam; Christ, Frauke; Debyser, Zeger; De Luca, Laura; Chimirri, Alba; Cotelle, Philippe European Journal of Medicinal Chemistry, 2011 , vol. 46, # 2 p. 535 - 546

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.5729
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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