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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 84290-49-3, Schembl10922927, Gshnzovugrzeon-uhfffaoysa-n, Mfcd24674686, 2-hydroxy-6-methoxymethoxybenzaldehyde, Ft-0729569
    Molecular Formula
    C9H10O4
    Molecular Weight
    182.17  g/mol
    InChI Key
    GSHNZOVUGRZEON-UHFFFAOYSA-N
    CAS 84290-49-3
    1 2D Structure

    CAS 84290-49-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxy-6-(methoxymethoxy)benzaldehyde
    2.1.2 InChI
    InChI=1S/C9H10O4/c1-12-6-13-9-4-2-3-8(11)7(9)5-10/h2-5,11H,6H2,1H3
    2.1.3 InChI Key
    GSHNZOVUGRZEON-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCOC1=CC=CC(=C1C=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 84290-49-3

    2. Schembl10922927

    3. Gshnzovugrzeon-uhfffaoysa-n

    4. Mfcd24674686

    5. 2-hydroxy-6-methoxymethoxybenzaldehyde

    6. Ft-0729569

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 182.17 g/mol
    Molecular Formula C9H10O4
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area55.8
    Heavy Atom Count13
    Formal Charge0
    Complexity160
    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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