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  • 2,3-Dimethoxy-5-methyl-1,4-benzoquinone

  • 2,3-Dimethoxy-5-methyl-1,4-benzoquinone

    Catalog Number
    ACM605947
    CAS Number
    605-94-7
    Product Name
    2,3-Dimethoxy-5-methyl-1,4-benzoquinone
    Structure
    Category
    Charge Transfer Complexes; Molecular Conductors
    Synonyms
    Coenzyme Qo
    IUPAC Name
    2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
    Molecular Weight
    182.18
    Molecular Formula
    C9H10O4
    Canonical SMILES
    CC1=CC(=O)C(=C(C1=O)OC)OC
    InChI
    InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3
    InChI Key
    UIXPTCZPFCVOQF-UHFFFAOYSA-N
    Melting Point
    60 °C
    Purity
    >97.0%(T)
    Appearance
    Orange to Amber to Dark red powder to crystal
    Storage
    Store under inert gas
    Complexity
    323
    Covalently-Bonded Unit Count
    1
    EC Number
    210-100-8
    Exact Mass
    182.057909g/mol
    Formal Charge
    0
    Hazard Statements
    H315 : Causes skin irritation.H319 : Causes serious eye irritation.
    Heavy Atom Count
    13
    Log P
    0.8 (LogP)
    MDL Number
    MFCD00001595
    MeSH Entry Terms
    2,3-dimethoxy-5-methyl-1,4-benzoquinone;2,3-dimethoxy-5-methyl-2,5-cyclohexadiene-1,4-dione;CCRIS 7153;coenzyme Qo;ubiquinone 0;ubiquinone-0;ubiquinone-O;UQ(0) cpd
    Monoisotopic Mass
    182.057909g/mol
    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
    0.8
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