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  • Propylene glycol isostearate,Propylene glycol monoisostearate,EINECS 2
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    Propylene glycol isostearate
    Propylene glycol monoisostearate
    EINECS 269-027-5
    Isooctadecanoic acid, monoester with 1,2-propanediol
    32057-15-1
    68171-38-0

    [Structure]
    Propylene glycol isostearate,Propylene glycol monoisostearate,EINECS 2

    [ Properties Computed from Structure]
    Molecular Weight342.55638 [g/mol]
    Molecular FormulaC21H42O3
    XLogP7
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count18
    Exact Mass342.313395
    MonoIsotopic Mass342.313395
    Topological Polar Surface Area46.5
    Heavy Atom Count24
    Formal Charge0
    Complexity276
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-hydroxypropyl 16-methylheptadecanoate
    Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)O
    InChI: InChI=1/C21H42O3/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(23)24-
    18-20(3)22/h19-20,22H,4-18H2,1-3H3

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