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    CAS-119-39-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Phthalazin-1(2h)-one, 119-39-1, Phthalazone, Phthalazinone, Phthalazin-1-one, 2h-phthalazin-1-one
    Molecular Formula
    C8H6N2O
    Molecular Weight
    146.15  g/mol
    InChI Key
    IJAPPYDYQCXOEF-UHFFFAOYSA-N
    FDA UNII
    463ZJB0EI2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2H-phthalazin-1-one
    2.1.2 InChI
    InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
    2.1.3 InChI Key
    IJAPPYDYQCXOEF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=NNC2=O
    2.2 Other Identifiers
    2.2.1 UNII
    463ZJB0EI2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-hydroxyphthalazine

    2.3.2 Depositor-Supplied Synonyms

    1. Phthalazin-1(2h)-one

    2. 119-39-1

    3. Phthalazone

    4. Phthalazinone

    5. Phthalazin-1-one

    6. 2h-phthalazin-1-one

    7. 1-phthalazinol

    8. Phthalazin-1-ol

    9. 1-hydroxyphthalazine

    10. 1(2h)phthalazinone

    11. 1,2-dihydrophthalazin-1-one

    12. 1-phthalazinone

    13. 1-oxophthalazine

    14. 62054-23-3

    15. Mfcd00006892

    16. 463zjb0ei2

    17. Chembl124706

    18. Chebi:34023

    19. Nsc-10432

    20. Nsc-52567

    21. Wln: T66 Bvmnj

    22. Ccris 4860

    23. Hsdb 4310

    24. Einecs 204-319-8

    25. Nsc 10432

    26. Unii-463zjb0ei2

    27. Benzo[d]pyridazin-1(2h)one

    28. (2h)-phthalazinone

    29. Phthalazone, 99%

    30. 1-(2h)-phthalazinone

    31. Dsstox_cid_5903

    32. Dsstox_rid_77965

    33. Dsstox_gsid_25903

    34. Schembl51553

    35. Amy738

    36. Dtxsid4025903

    37. Ijappydyqcxoef-uhfffaoysa-

    38. Act05270

    39. Albb-028398

    40. Bcp29580

    41. Nsc10432

    42. Nsc52567

    43. Str06150

    44. Tox21_200287

    45. Bbl023000

    46. Bdbm50106185

    47. Stl356796

    48. Zinc16890049

    49. Akos000119448

    50. Akos001019048

    51. 1-phthalazinone [usp Impurity]

    52. Ab03574

    53. Cs-w018234

    54. Ncgc00091321-01

    55. Ncgc00091321-02

    56. Ncgc00257841-01

    57. Cas-119-39-1

    58. Phthalazone Pound>>phthalazin-1(2h)-one

    59. Sy026934

    60. Db-001996

    61. Eu-0033708

    62. Ft-0631680

    63. P1179

    64. W-60386

    65. W-108514

    66. Q27115758

    67. Z48957540

    68. F0213-0013

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 146.15 g/mol
    Molecular Formula C8H6N2O
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass146.048012819 g/mol
    Monoisotopic Mass146.048012819 g/mol
    Topological Polar Surface Area41.5 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity200
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1