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    CAS 1228837-05-5

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    CAS 1228837-05-5
    Also known as: 1228837-05-5, 2-(4-chlorophenyl)-4,4-dimethylcyclohexene-1-carbaldehyde, 2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde, 2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enecarbaldehyde, 2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-ene-1-carbaldehyde, 2-(4-chlorophenyl)-4,4-dimethyl-cyclohexene-1-carbaldehyde
    Molecular Formula
    C15H17ClO
    Molecular Weight
    248.75  g/mol
    InChI Key
    OOUSVDAPSBFSBR-UHFFFAOYSA-N
    1 2D Structure

    CAS 1228837-05-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-chlorophenyl)-4,4-dimethylcyclohexene-1-carbaldehyde
    2.1.2 InChI
    InChI=1S/C15H17ClO/c1-15(2)8-7-12(10-17)14(9-15)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3
    2.1.3 InChI Key
    OOUSVDAPSBFSBR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)C=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1228837-05-5

    2. 2-(4-chlorophenyl)-4,4-dimethylcyclohexene-1-carbaldehyde

    3. 2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde

    4. 2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enecarbaldehyde

    5. 2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-ene-1-carbaldehyde

    6. 2-(4-chlorophenyl)-4,4-dimethyl-cyclohexene-1-carbaldehyde

    7. 1-cyclohexene-1-carboxaldehyde, 2-(4-chlorophenyl)-4,4-dimethyl-

    8. Ec 941-921-6

    9. Amy345

    10. Schembl1700136

    11. Dtxsid601178993

    12. Bcp23682

    13. Cs-b1532

    14. Mfcd28129706

    15. Zinc116883805

    16. Sb18651

    17. Ac-29704

    18. As-71677

    19. Da-28209

    20. Ft-0769545

    21. A926004

    2.3 Create Date
    2015-02-12
    3 Chemical and Physical Properties
    Molecular Weight 248.75 g/mol
    Molecular Formula C15H17ClO
    XLogP34.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass248.0967929 g/mol
    Monoisotopic Mass248.0967929 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity322
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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