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    Technical details about Acetone Semicarbazone, learn more about the structure, uses, toxicity, action, side effects and more

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    Acetone Semicarbazone

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    1. Also known as: 110-20-3, Acetonesemicarbazone, (propan-2-ylideneamino)urea, 2-(propan-2-ylidene)hydrazinecarboxamide, Acetone, semicarbazone, Hydrazinecarboxamide, 2-(1-methylethylidene)-
    Molecular Formula
    C4H9N3O
    Molecular Weight
    115.13  g/mol
    InChI Key
    HQDAJGNZGNZGCO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (propan-2-ylideneamino)urea
    2.1.2 InChI
    InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
    2.1.3 InChI Key
    HQDAJGNZGNZGCO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=NNC(=O)N)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 110-20-3

    2. Acetonesemicarbazone

    3. (propan-2-ylideneamino)urea

    4. 2-(propan-2-ylidene)hydrazinecarboxamide

    5. Acetone, Semicarbazone

    6. Hydrazinecarboxamide, 2-(1-methylethylidene)-

    7. 2-propanone, Semicarbazone

    8. (isopropylideneamino)urea

    9. Nsc 456

    10. 2-propanone Semicarbazone

    11. Einecs 203-746-7

    12. Brn 0970110

    13. Ai3-00507

    14. Wln: Zvmnuy1 & 1

    15. [(propan-2-ylidene)amino]urea

    16. 1-(propan-2-ylideneamino)urea

    17. Nsc456

    18. Schembl6219184

    19. Dtxsid9059383

    20. Schembl20707884

    21. Nsc-456

    22. Str04088

    23. Zinc3921319

    24. Mfcd00014785

    25. Akos009143193

    26. Cs-w011237

    27. 2-(1-methylethylidene)hydrazinecarboxamide

    28. A0058

    29. Ft-0621804

    30. E78190

    31. A802165

    32. W-108694

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 115.13 g/mol
    Molecular Formula C4H9N3O
    XLogP3-0.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass115.074561919 g/mol
    Monoisotopic Mass115.074561919 g/mol
    Topological Polar Surface Area67.5 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity115
    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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