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  • Benzo[b]thiophene-2-carboxylic Acid

  • Benzo[b]thiophene-2-carboxylic Acid

    Catalog Number
    ACM6314289-1
    CAS Number
    6314-28-9
    Product Name
    Benzo[b]thiophene-2-carboxylic Acid
    Structure
    Category
    Small Molecule Semiconductor Building Blocks; Semiconductor Blocks
    IUPAC Name
    1-benzothiophene-2-carboxylic acid
    Molecular Weight
    178.21g/mol
    Molecular Formula
    C9H6O2S
    Canonical SMILES
    C1=CC=C2C(=C1)C=C(S2)C(=O)O
    InChI
    InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
    InChI Key
    DYSJMQABFPKAQM-UHFFFAOYSA-N
    Complexity
    193
    Covalently-Bonded Unit Count
    1
    EC Number
    613-148-1
    Exact Mass
    178.008851g/mol
    Formal Charge
    0
    Heavy Atom Count
    12
    MeSH Entry Terms
    benzo(b)thiophene-2-carboxylic acid;BL 5583;BL-5583;thionaphthene-2-carboxylic acid;thionapthene-2-carboxylic acid
    Monoisotopic Mass
    178.008851g/mol
    NSC Number
    112990;40258
    Rotatable Bond Count
    1
    UNII
    HLR49221FQ
    XLogP3
    2.8
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