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    Technical details about CAS 23876-13-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 23876-13-3

    BUILDING BLOCK

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    2D Structure
    Also known as: 23876-13-3, (2-methyl-3-nitrophenyl)methanol, 2-methyl-3-nitrobenzylalcohol, Benzenemethanol, 2-methyl-3-nitro-, 1ex8sc1etw, 2-methyl-3-nitrobenzenemethanol
    Molecular Formula
    C8H9NO3
    Molecular Weight
    167.16  g/mol
    InChI Key
    QJANIQCEDPJNLO-UHFFFAOYSA-N
    FDA UNII
    1EX8SC1ETW
    (2-methyl-3-nitrophenyl)methanol is a natural product found in Acca sellowiana with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2-methyl-3-nitrophenyl)methanol
    2.1.2 InChI
    InChI=1S/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3
    2.1.3 InChI Key
    QJANIQCEDPJNLO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC=C1[N+](=O)[O-])CO
    2.2 Other Identifiers
    2.2.1 UNII
    1EX8SC1ETW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 23876-13-3

    2. (2-methyl-3-nitrophenyl)methanol

    3. 2-methyl-3-nitrobenzylalcohol

    4. Benzenemethanol, 2-methyl-3-nitro-

    5. 1ex8sc1etw

    6. 2-methyl-3-nitrobenzenemethanol

    7. Einecs 245-923-1

    8. (2-methyl-3-nitro-phenyl)-methanol

    9. Unii-1ex8sc1etw

    10. Schembl715298

    11. 2-methyl-3-nitrophenylmethanol

    12. 2-methyl-3-nitro Benzylalcohol

    13. Dalc2-h_000050

    14. 2-methyl-3-nitro Benzyl Alcohol

    15. Dtxsid20178578

    16. Zinc2567947

    17. (2-methyl-3-nitrophenyl)methanol #

    18. Mfcd00007166

    19. Akos009156888

    20. 2-methyl-3-nitrobenzyl Alcohol, 99%

    21. 3-hydroxymethyl-2-methyl-1-nitrobenzene

    22. As-17900

    23. Db-021338

    24. Am20030418

    25. Cs-0097438

    26. Ft-0638363

    27. A816957

    28. J-015255

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 167.16 g/mol
    Molecular Formula C8H9NO3
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass167.058243149 g/mol
    Monoisotopic Mass167.058243149 g/mol
    Topological Polar Surface Area66 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity166
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1