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(4-methyl-1,2,5-oxadiazol-3-yl)acetic acid
Weight142.114 g/mol
FormulaC5H6N2O3
Hydrogen Acceptors4
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds2

(4-methyl-1,2,5-oxadiazol-3-yl)acetic acid (15323-69-0)

15323-69-0

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Alternate Names

  • 15323-69-0
  • SMILES
    CC1=NON=C1CC(=O)O
  • InChIKey
    KTQDLOCXIKPNTI-UHFFFAOYSA-N

Estimated Properties

Boiling Point 230.45 C EPA T.E.S.T.
Boiling Point 269.89 C EPI Suite
Density 1.28 g/cm3 EPA T.E.S.T.
Flash Point 122.8 C EPA T.E.S.T.
Melting Point 94.17 C EPI Suite
Water Solubility 74444.1 mg/L EPA T.E.S.T.
Water Solubility 1e+06 mg/L EPI Suite

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Synthesis

3-methyl-1,2,5-oxadiazole  +  chloroacetic acid (Friedel-Crafts alkylation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of (4-methyl-1,2,5-oxadiazol-3-yl)acetic acid ›

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