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  • 1,3-Acetonedicarboxylic acid

    • 1,3-Acetonedicarboxylic acid

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    Catalog Number
    ACM542052-1
    Product Name
    1,3-Acetonedicarboxylic acid
    Structure
    CAS
    542-05-2
    Category
    Monomers
    Synonyms
    3-Oxopentane-1,5-dioic acid
    Description
    Solid
    IUPAC Name
    3-Oxopentanedioic acid
    Molecular Weight
    146.1
    Molecular Formula
    C5H6O5
    Canonical SMILES
    C(C(=O)CC(=O)O)C(=O)O
    InChI
    InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
    InChI Key
    OXTNCQMOKLOUAM-UHFFFAOYSA-N
    Boiling Point
    185.67 °C
    Melting Point
    133 °C(lit.)
    Flash Point
    214.9 °C
    Purity
    98%
    Density
    1.2821 g/cm³
    Solubility
    Soluble in water
    Appearance
    White crystalline powder
    Application
    This product is suitable for scientific research.
    Storage
    -20 °C
    Complexity
    153
    Covalently-Bonded Unit Count
    1
    EC Number
    208-797-9
    Exact Mass
    146.02152329
    Features And Benefits
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    Formal Charge
    0
    Heavy Atom Count
    10
    MDL Number
    MFCD00002711
    Monoisotopic Mass
    146.02152329
    Refractive Index
    1.3920
    Rotatable Bond Count
    4
    Storage Temperature
    −20°C
    Topological Polar Surface Area
    91.7 Ų
    UNII
    IH7P7WO21P
    XLogP3
    -0.7
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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