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2-oxo-4-phenylbutanoic acid
Weight178.187 g/mol
FormulaC10H10O3
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds4

2-oxo-4-phenylbutanoic acid (710-11-2)

710-11-2

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Alternate Names

  • 710-11-2
  • SMILES
    C1=CC=C(C=C1)CCC(=O)C(=O)O
  • InChIKey
    PPKAIMDMNWBOKN-UHFFFAOYSA-N

Estimated Properties

Boiling Point 300.92 C EPA T.E.S.T.
Boiling Point 325.2 C EPI Suite
Density 1.19 g/cm3 EPA T.E.S.T.
Flash Point 176.56 C EPA T.E.S.T.
Melting Point 98.73 C EPI Suite
Water Solubility 4802.21 mg/L EPA T.E.S.T.
Water Solubility 4046.7 mg/L EPI Suite

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Synthesis

benzene  +  SCHEMBL6690358 (Friedel-Crafts alkylation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 2-oxo-4-phenylbutanoic acid ›

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