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3-(3-methoxyisoxazol-5-yl)propanoic acid
Weight171.152 g/mol
FormulaC7H9NO4
Hydrogen Acceptors4
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds4

3-(3-methoxyisoxazol-5-yl)propanoic acid (52898-06-3)

52898-06-3

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Alternate Names

  • 52898-06-3
  • SMILES
    COC1=NOC(=C1)CCC(=O)O
  • InChIKey
    XWBIAAGRBWFOCT-UHFFFAOYSA-N

Estimated Properties

Boiling Point 257.45 C EPA T.E.S.T.
Boiling Point 294.58 C EPI Suite
Density 1.24 g/cm3 EPA T.E.S.T.
Flash Point 132.71 C EPA T.E.S.T.
Melting Point 98.29 C EPI Suite
Water Solubility 23820.4 mg/L EPA T.E.S.T.
Water Solubility 87810 mg/L EPI Suite

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Synthesis

Reactant  +  3-Chloropropanoic acid (Friedel-Crafts alkylation)
Reactant  +  Methyl hydroperoxide (Dakin oxidation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 3-(3-methoxyisoxazol-5-yl)propanoic acid ›

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