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    CAS 959973-63-8 manufacturers and suppliers on PharmaCompass

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    CAS 959973-63-8

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    CAS 959973-63-8
    Also known as: 2-((benzyloxy)methyl)cyclopent-3-enol, 2-(phenylmethoxymethyl)cyclopent-3-en-1-ol, 959973-63-8, (1s, 2r)-2-(benzyloxymethyl)-1-hydroxy-3-cyclopentene, Mfcd09263486, Akos032947312
    Molecular Formula
    C13H16O2
    Molecular Weight
    204.26  g/mol
    InChI Key
    WACMQXMZXZTKIV-UHFFFAOYSA-N
    1 2D Structure

    CAS 959973-63-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
    2.1.2 InChI
    InChI=1S/C13H16O2/c14-13-8-4-7-12(13)10-15-9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2
    2.1.3 InChI Key
    WACMQXMZXZTKIV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C=CC(C1O)COCC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2-((benzyloxy)methyl)cyclopent-3-enol

    2. 2-(phenylmethoxymethyl)cyclopent-3-en-1-ol

    3. 959973-63-8

    4. (1s, 2r)-2-(benzyloxymethyl)-1-hydroxy-3-cyclopentene

    5. Mfcd09263486

    6. Akos032947312

    7. Sy111013

    8. Ft-0773876

    9. (1s,2r)-2-[(benzyloxy)methyl]-3-cyclopentenol

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 204.26 g/mol
    Molecular Formula C13H16O2
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass204.115029749 g/mol
    Monoisotopic Mass204.115029749 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity207
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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