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    Technical details about CAS 821-09-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 821-09-0

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    2D Structure
    Also known as: Pent-4-en-1-ol, 821-09-0, 4-pentenol, 4-pentenyl alcohol, 2-allylethyl alcohol, 4-pentene-1-ol
    Molecular Formula
    C5H10O
    Molecular Weight
    86.13  g/mol
    InChI Key
    LQAVWYMTUMSFBE-UHFFFAOYSA-N
    FDA UNII
    W0558TQC6F
    4-pentenol is a natural product found in Brassica napus and Brassica rapa with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pent-4-en-1-ol
    2.1.2 InChI
    InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2
    2.1.3 InChI Key
    LQAVWYMTUMSFBE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C=CCCCO
    2.2 Other Identifiers
    2.2.1 UNII
    W0558TQC6F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Pent-4-en-1-ol

    2.3.2 Depositor-Supplied Synonyms

    1. Pent-4-en-1-ol

    2. 821-09-0

    3. 4-pentenol

    4. 4-pentenyl Alcohol

    5. 2-allylethyl Alcohol

    6. 4-pentene-1-ol

    7. W0558tqc6f

    8. Nsc-97503

    9. 4-pentenol-1

    10. Unii-w0558tqc6f

    11. 4-penten-1ol

    12. 4penten-1-ol

    13. Nsc97503

    14. Einecs 212-473-2

    15. 1-penten-5-ol

    16. Mfcd00002975

    17. 1-hydroxy-4-pentene

    18. 5-hydroxy-1-pentene

    19. Ai3-28608

    20. Ch2=chch2ch2ch2oh

    21. 4-penten-1-ol, 99%

    22. 5-hydroxy-1-pentene-

    23. Lqavwymtumsfbe-uhfffaoysa-

    24. Dtxsid30231562

    25. Act03061

    26. Amy41353

    27. Zinc1632700

    28. Nsc 97503

    29. Akos009156637

    30. Cs-w011355

    31. Sb83778

    32. Db-008422

    33. Ft-0619351

    34. Ft-0619352

    35. P1243

    36. 4-penten-1-ol, Purum, >=97.0% (gc)

    37. A840248

    38. A851038

    39. W-104186

    40. Q27292125

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 86.13 g/mol
    Molecular Formula C5H10O
    XLogP31
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass86.073164938 g/mol
    Monoisotopic Mass86.073164938 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity32.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1