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CS-W001157 4
Total: USD 88.00

4-(Hydroxymethyl)-2-methoxybenzoic acid

  • CAS No. 158089-31-7

  • Cat. No. CS-0372949
  • Purity≥97%
  • MDL No.None

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

4-(Hydroxymethyl)-2-methoxybenzoic acid|CS-0372949

Structure of 158089-31-7

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General Information

  • CAS No. 158089-31-7
  • Cat. No. CS-0372949
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₄
  • Molecular Weight 182.17
  • Synonym(s) Benzoic acid,4-(hydroxymethyl)-2-methoxy
  • SMILES O=C(O)C1=CC=C(CO)C=C1OC

Synthesis

  • Route1

    References

    • G. D. Searle and Co. Patent: US5302601 A1, 1994 ; US 5302601 A
  • Route2
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      189094-76-6
    • ~%
    • 4-(Hydroxymethyl)-2-methoxybenzoic acid|CS-0372949
      158089-31-7

    References

    • Sawada, Yuki; Kayakiri, Hiroshi; Abe, Yoshito; Mizutani, Tsuyoshi; Inamura, Noriaki; Asano, Masayuki; Aramori, Ichiro; Hatori, Chie; Oku, Teruo; Tanaka, Hirokazu Journal of Medicinal Chemistry, 2004 , vol. 47, # 10 p. 2667 - 2677

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   0.8857
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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