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3-(benzylthio)propanoic acid
Weight196.271 g/mol
FormulaC10H12O2S
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds5

3-(benzylthio)propanoic acid (2899-66-3)

2899-66-3

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Alternate Names

  • 2899-66-3
  • SMILES
    C1=CC=C(C=C1)CSCCC(=O)O
  • InChIKey
    NDBNSZKHDMXOJE-UHFFFAOYSA-N

Estimated Properties

Boiling Point 316.35 C EPA T.E.S.T.
Boiling Point 336.73 C EPI Suite
Density 1.19 g/cm3 EPA T.E.S.T.
Flash Point 173.38 C EPA T.E.S.T.
Melting Point 105.54 C EPI Suite
Water Solubility 2543.75 mg/L EPA T.E.S.T.
Water Solubility 621.23 mg/L EPI Suite

External Links

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