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  • 5-Pyrimidinecarboxylicacid,6-amino-1,2-dihydro-2-thioxo-,ethyl ester

    • 5-Pyrimidinecarboxylicacid,6-amino-1,2-dihydro-2-thioxo-,ethyl ester

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    Catalog Number
    ACM77407
    CAS Number
    77-40-7
    Product Name
    5-Pyrimidinecarboxylicacid,6-amino-1,2-dihydro-2-thioxo-,ethyl ester
    Structure
    Category
    Monomers
    IUPAC Name
    4-[2-(4-hydroxyphenyl)butan-2-yl]phenol
    Molecular Weight
    242.31g/mol
    Molecular Formula
    C16H18O2
    Canonical SMILES
    CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChI
    InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3
    InChI Key
    HTVITOHKHWFJKO-UHFFFAOYSA-N
    Melting Point
    120.5 °C;120.5 °C
    Solubility
    Approximate solubility per 100 g: water <0.1 g;Approximate solubility per 100 g: acetone 266 g; benzene 2.3 g; carbon tetrachloride <0.1 g; ether 133 g; methanol 166 g; V.M.P. naphtha <0.1 g
    Color/Form
    Crystal or tan granules
    Complexity
    226
    Covalently-Bonded Unit Count
    1
    EC Number
    201-025-1
    Exact Mass
    242.13068g/mol
    Formal Charge
    0
    Heavy Atom Count
    18
    Log P
    log Kow = 4.13 (est)
    MeSH Entry Terms
    2,2-bis(4-hydroxyphenyl)butane;bisphenol B
    Monoisotopic Mass
    242.13068g/mol
    NSC Number
    1775
    Other Experimental
    Henry's Law constant = 1.2X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.2X10-11 cu cm/molecule-sec at 25 °C (est)
    Rotatable Bond Count
    3
    UNII
    1RC731TJJA
    Vapor Pressure
    2.5X10-7 mm Hg at 25 °C (est)
    XLogP3
    3.9
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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