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Methyl 3-(2-nitrophenyl)-3-oxopropanoate

  • CAS No. 61158-02-9

  • Cat. No. CS-0454154
  • Molecule weight223.18
  • Purity≥98%
  • MDL No.None

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

Methyl 3-(2-nitrophenyl)-3-oxopropanoate|CS-0454154

Structure of 61158-02-9

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General Information

  • CAS No. 61158-02-9
  • Cat. No. CS-0454154
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₅
  • Molecular Weight 223.18
  • Synonym(s) 3-(2-NITRO-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER
  • SMILES COC(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      22751-16-2
    • ~96%
    • Methyl 3-(2-nitrophenyl)-3-oxopropanoate|CS-0454154
      61158-02-9

    References

    • Szczepankiewicz; Heathcock Journal of Organic Chemistry, 1994 , vol. 59, # 13 p. 3512 - 3513

Safety Information

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

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   1.3406
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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