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    CAS 132489-34-0

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    CAS 132489-34-0
    Also known as: (2s)-2-(benzyloxy)pentan-3-one, 132489-34-0, (r)-2-benzyloxy-3-pentanone, Benzyloxy-3-pentanone, Schembl8827334, Akos014197677
    Molecular Formula
    C12H16O2
    Molecular Weight
    192.25  g/mol
    InChI Key
    DEOOBELFQJXOAE-UHFFFAOYSA-N
    1 2D Structure

    CAS 132489-34-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-phenylmethoxypentan-3-one
    2.1.2 InChI
    InChI=1S/C12H16O2/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
    2.1.3 InChI Key
    DEOOBELFQJXOAE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)C(C)OCC1=CC=CC=C1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. (2s)-2-(benzyloxy)pentan-3-one

    2. 132489-34-0

    3. (r)-2-benzyloxy-3-pentanone

    4. Benzyloxy-3-pentanone

    5. Schembl8827334

    6. Akos014197677

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 192.25 g/mol
    Molecular Formula C12H16O2
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass192.115029749 g/mol
    Monoisotopic Mass192.115029749 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity171
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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