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CS-W001157 4
Total: USD 88.00

2-Oxononanoic acid

  • CAS No. 13139-94-1

  • Cat. No. CS-0507697
  • Purity≥98%
  • MDL No.None

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

2-Oxononanoic acid|CS-0507697

Structure of 13139-94-1

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General Information

  • CAS No. 13139-94-1
  • Cat. No. CS-0507697
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₃
  • Molecular Weight 172.22
  • Synonym(s) 2-Ketopelargonic acid
  • SMILES CCCCCCCC(C(O)=O)=O

Synthesis

  • Route1
    • null|null
      77785-26-3
    • ~%
    • 2-Oxononanoic acid|CS-0507697
      13139-94-1

    References

    • Kashinskii, V. N.; Demanov, V. A.; Lapkin, I.I. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 1 p. 72 - 75 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 1 p. 79 - 83
  • Route2
    • null|null
      77785-30-9
    • ~%
    • 2-Oxononanoic acid|CS-0507697
      13139-94-1

    References

    • Kashinskii, V. N.; Demanov, V. A.; Lapkin, I.I. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 1 p. 72 - 75 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 1 p. 79 - 83
  • Route3
    • null|null
      77785-34-3
    • ~%
    • 2-Oxononanoic acid|CS-0507697
      13139-94-1

    References

    • Kashinskii, V. N.; Demanov, V. A.; Lapkin, I.I. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 1 p. 72 - 75 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 1 p. 79 - 83

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.0006
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   7

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