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CS-W001157 4
Total: USD 88.00

3-Propionylbenzoic acid

  • CAS No. 74380-71-5

  • Cat. No. CS-0532129
  • Molecule weight178.18
  • Purity≥98%
  • MDL No.MFCD02260860

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

3-Propionylbenzoic acid|CS-0532129

Structure of 74380-71-5

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General Information

  • CAS No. 74380-71-5
  • Cat. No. CS-0532129
  • Purity ≥98%
  • MDL No. MFCD02260860
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃
  • Molecular Weight 178.18
  • Synonym(s) 3-Propanoylbenzoic acid
  • SMILES O=C(C1=CC=CC(C(CC)=O)=C1)O

Synthesis

  • Route1
    • 1-(3-Cyanophenyl)propan-1-one|CS-0699010
      50916-34-2
    • ~77%
    • 3-Propionylbenzoic acid|CS-0532129
      74380-71-5

    References

    • Sonawane, Harikisan; Bellur, Nanjundiah S.; Kulkarni, Dilip G.; Ayyangar, Nagaraj R. Tetrahedron, 1994 , vol. 50, # 4 p. 1243 - 1260
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 46, # 8 p. 1546 - 1553
  • Route3
    • null|null
      554-12-1
    • null|null
      1528-44-5
    • ~%
    • In-stock
      Isophthalic acid|CS-0020265
      121-91-5
    • 3-Propionylbenzoic acid|CS-0532129
      74380-71-5

    References

    • Liebigs Annalen der Chemie, , # 6 p. 641 - 644

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.9775
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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