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  • 1,3-Adamantanedicarboxylic Acid

  • 1,3-Adamantanedicarboxylic Acid

    Catalog Number
    ACM39269108
    CAS Number
    39269-10-8
    Product Name
    1,3-Adamantanedicarboxylic Acid
    Structure
    Category
    Self Assembly and Lithography; Monomers
    Synonyms
    1,3-Dicarboxyadamantane
    IUPAC Name
    adamantane-1,3-dicarboxylic acid
    Molecular Weight
    224.26
    Molecular Formula
    C12H16O4
    Canonical SMILES
    OC(=O)[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C(O)=O
    InChI
    InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)
    InChI Key
    PAVQGHWQOQZQEH-UHFFFAOYSA-N
    Boiling Point
    380.6±15.0 °C(Predicted)
    Melting Point
    344 °C(dec.)
    Purity
    >97.0%(GC)(T)
    Density
    1.461±0.06 g/cm3(Predicted)
    Appearance
    White to Light yellow powder to crystal
    Storage
    Store under inert gas
    Assay
    98%
    Complexity
    327
    Covalently-Bonded Unit Count
    1
    EC Number
    254-395-1
    Exact Mass
    224.104859g/mol
    Formal Charge
    0
    Hazard Statements
    H315 : Causes skin irritation.H319 : Causes serious eye irritation.
    Heavy Atom Count
    16
    MDL Number
    MFCD00167790
    MeSH Entry Terms
    1,3-adamantanedicarboxylic acid
    Monoisotopic Mass
    224.104859g/mol
    Packaging
    1 g in glass bottle
    Precautionary Statements
    P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
    Rotatable Bond Count
    2
    Signal Word
    Warning
    XLogP3
    1.1
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