2-(acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
Weight253.323 g/mol
FormulaC12H15NO3S
Hydrogen Acceptors3
Hydrogen Donors2
Aromatic Rings1
Rotatable Bonds2

2-(acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid (63826-34-6)

63826-34-6

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Alternate Names

  • 63826-34-6
  • SMILES
    CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)O
  • InChIKey
    DEDWHJVDTMELPW-UHFFFAOYSA-N

Estimated Properties

Boiling Point 380.92 C EPA T.E.S.T.
Boiling Point 459.57 C EPI Suite
Density 1.3 g/cm3 EPA T.E.S.T.
Flash Point 240.88 C EPA T.E.S.T.
Melting Point 193.71 C EPI Suite
Water Solubility 448.05 mg/L EPA T.E.S.T.
Water Solubility 214.98 mg/L EPI Suite

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