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    Technical details about 25950-34-9, learn more about the structure, uses, toxicity, action, side effects and more

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    25950-34-9

    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: 25950-34-9, Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid, Isophthalic acid, adipic acid, neopentyl glycol, trimethylol propane polymer, Adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer, Adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane resin, Adipic acid, isophthalic acid, trimethylolpropane, neopentyl glycol polymer
    Molecular Formula
    C25H42O13
    Molecular Weight
    550.6  g/mol
    InChI Key
    IEDXXJZTLGWDSD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid
    2.1.2 InChI
    InChI=1S/C8H6O4.C6H10O4.C6H14O3.C5H12O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;1-5(2,3-6)4-7/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;6-7H,3-4H2,1-2H3
    2.1.3 InChI Key
    IEDXXJZTLGWDSD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 25950-34-9

    2. Benzene-1,3-dicarboxylic Acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic Acid

    3. Isophthalic Acid, Adipic Acid, Neopentyl Glycol, Trimethylol Propane Polymer

    4. Adipic Acid, Isophthalic Acid, Neopentyl Glycol, Trimethylolpropane Polymer

    5. Adipic Acid, Isophthalic Acid, Neopentyl Glycol, Trimethylolpropane Resin

    6. Adipic Acid, Isophthalic Acid, Trimethylolpropane, Neopentyl Glycol Polymer

    7. Adipic Acid, Neopentyl Glycol, Trimethylolpropane, Isophthalic Acid Polymer

    8. Adipic Acid, Trimethanolpropane, Neopentyl Glycol Isophthalic Acid Resin

    9. Isophthalic Acid, Adipic Acid, Trimethylolpropane, Neopentyl Glycol Polymer

    10. Isophthalic Acid, Neopentyl Glycol, Adipic Acid, Trimethylolpropane Polymer

    11. Neopentyl Glycol, Isophthalic Acid, Adipic Acid, Trimethylolpropane Polymer

    12. Neopentyl Glycol, Trimethylol Propane, Isophthalic Acid, Adipic Acid Polymer

    13. Neopentyl Glycol, Trimethylolpropane, Adipic Acid, Isophthalic Acid Polymer

    14. Neopentyl Glycol, Trimethylolpropane, Adipic Acid, Isophthalic Acid Resin

    15. Neopentyl Glycol, Trimethylolpropane, Isophthalic Acid, Adipic Acid Polymer

    16. Trimethylolpropane, Neopentyl Glycol, Adipic Acid, Isophthalic Acid Polymer

    17. Neopentylglycol, Trimethylolpropane, Isophthalic Acid, Adipic Acid, Polyester Resin

    18. 1,3-benzenedicarboxylic Acid, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, Hexanedioic Acid Polymer

    19. 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, Neopentyl Glycol, Adipic Acid, 1,3-benzenedicarboxylic Acid Polymer

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 550.6 g/mol
    Molecular Formula C25H42O13
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count13
    Exact Mass550.26254139 g/mol
    Monoisotopic Mass550.26254139 g/mol
    Topological Polar Surface Area250 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity397
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
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