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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1293284-55-5, 826-805-4, Benzoic acid, 5-methoxy-2-(2h-1,2,3-triazol-2-yl)-, Schembl1586099, Ex-a7809d, Ofurcffcwjmvkq-uhfffaoysa-n
    Molecular Formula
    C10H9N3O3
    Molecular Weight
    219.20  g/mol
    InChI Key
    OFURCFFCWJMVKQ-UHFFFAOYSA-N
    CAS 1293284-55-5
    1 2D Structure

    CAS 1293284-55-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-methoxy-2-(triazol-2-yl)benzoic acid
    2.1.2 InChI
    InChI=1S/C10H9N3O3/c1-16-7-2-3-9(8(6-7)10(14)15)13-11-4-5-12-13/h2-6H,1H3,(H,14,15)
    2.1.3 InChI Key
    OFURCFFCWJMVKQ-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1293284-55-5

    2. 826-805-4

    3. Benzoic Acid, 5-methoxy-2-(2h-1,2,3-triazol-2-yl)-

    4. Schembl1586099

    5. Ex-a7809d

    6. Ofurcffcwjmvkq-uhfffaoysa-n

    7. Dtxsid301241737

    8. Mfcd24480170

    9. At32806

    10. Sy326806

    11. Db-333069

    12. 5-methoxy-2-[1,2,3]triazol-2-yl-benzoic Acid

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 219.20 g/mol
    Molecular Formula C10H9N3O3
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area77.2
    Heavy Atom Count16
    Formal Charge0
    Complexity256
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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