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    Technical details about CAS 5708-19-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 5708-19-0

    BUILDING BLOCK

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    2D Structure
    Also known as: 5708-19-0, (1s)-cyclohex-3-ene-1-carboxylic acid, (s)-cyclohex-3-enecarboxylic acid, (s)-3-cyclohexene-1-carboxylic acid, (s)-(+)-3-cyclohexenecarboxylic acid, 3-cyclohexene-1-carboxylic acid, (1s)-
    Molecular Formula
    C7H10O2
    Molecular Weight
    126.15  g/mol
    InChI Key
    VUSWCWPCANWBFG-ZCFIWIBFSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-cyclohex-3-ene-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m1/s1
    2.1.3 InChI Key
    VUSWCWPCANWBFG-ZCFIWIBFSA-N
    2.1.4 Canonical SMILES
    C1CC(CC=C1)C(=O)O
    2.1.5 Isomeric SMILES
    C1C[C@@H](CC=C1)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5708-19-0

    2. (1s)-cyclohex-3-ene-1-carboxylic Acid

    3. (s)-cyclohex-3-enecarboxylic Acid

    4. (s)-3-cyclohexene-1-carboxylic Acid

    5. (s)-(+)-3-cyclohexenecarboxylic Acid

    6. 3-cyclohexene-1-carboxylic Acid, (1s)-

    7. (s)-(-)-3-cyclohexene-1-carboxylic Acid

    8. Mfcd08275437

    9. (s)-cyclohex-3-enecarboxylicacid

    10. (s)-(-)-cyclohex-3-enecarboxylic Acid

    11. Schembl468425

    12. Act03213

    13. Zinc4202671

    14. (s)-(-)-3-cyclohexenecarboxylicacid

    15. Akos006287439

    16. S)-(-)-3-cyclohexenecarboxylic Acid

    17. (1s)-3-cyclohexene-1-carboxylic Acid

    18. Am10071

    19. Cs-w018428

    20. Ac-33550

    21. As-34197

    22. Ft-0774177

    23. 708n190

    24. (s)-(-)-1,2,3,6-tetrahydrobenzoic Acid

    25. (1s)-cyclohex-3-ene-1-carboxylic Acid; (s)-(+)-3-cyclohexenecarboxylic Acid

    26. (s)-(-)-3-cyclohexenecarboxylic Acid; (s)-cyclohex-3-enecarboxylic Acid

    2.3 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 126.15 g/mol
    Molecular Formula C7H10O2
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass126.068079557 g/mol
    Monoisotopic Mass126.068079557 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity138
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1