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    Technical details about CAS 613-45-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 613-45-6

    Manufacturers/Suppliers

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    Centrient is a leading manufacturer of Beta-Lactam Antibiotics and a provider of next-generation Statins and Antifungals.

    IKF/Pharmasynthese have been with fine chemicals market and APIs performance for more than 40 years.

    2D Structure
    1. Also known as: 613-45-6, Benzaldehyde, 2,4-dimethoxy-, Mfcd00003311, 2,4-dimethoxy-benzaldehyde, Mm3u32aq5f, Mls000723769
    Molecular Formula
    C9H10O3
    Molecular Weight
    166.17  g/mol
    InChI Key
    LWRSYTXEQUUTKW-UHFFFAOYSA-N
    FDA UNII
    MM3U32AQ5F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4-dimethoxybenzaldehyde
    2.1.2 InChI
    InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3
    2.1.3 InChI Key
    LWRSYTXEQUUTKW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=C(C=C1)C=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    MM3U32AQ5F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 613-45-6

    2. Benzaldehyde, 2,4-dimethoxy-

    3. Mfcd00003311

    4. 2,4-dimethoxy-benzaldehyde

    5. Mm3u32aq5f

    6. Mls000723769

    7. Nsc-27023

    8. Smr000305364

    9. Einecs 210-342-4

    10. Nsc 27023

    11. Ai3-21269

    12. 2,4-bis(methyloxy)benzaldehyde

    13. 2,4dimethoxybenzaldehyde

    14. Argopore(tm)-mb-cho

    15. 2,4-dimethoxybenzaldehye

    16. 2.4-dimethoxybenzaldehye

    17. Opera_id_1127

    18. 4,6-dimethoxybenzaldehyde

    19. 2,4 Dimethoxybenzaldehyde

    20. 2,4 Dimethoxylbenzaldehyde

    21. Unii-mm3u32aq5f

    22. 2,4-dimethox-ybenzaldehyde

    23. 2,4-dimethoxy Benzaldehyde

    24. Schembl96291

    25. Chembl234216

    26. Dtxsid3022081

    27. 2,4-dimethoxybenzaldehyde, 98%

    28. Hms2627k12

    29. Zinc157150

    30. Act00462

    31. Nsc27023

    32. Str06383

    33. Dimethoxybenzaldehyde, 2,4-

    34. Bbl014083

    35. Stk199258

    36. Akos000118830

    37. Ac-8396

    38. Am10617

    39. Cs-w020102

    40. Ncgc00245850-01

    41. Bp-12432

    42. Sy012897

    43. Db-019963

    44. D0626

    45. Ft-0610132

    46. 2-hydroxy-4-methoxybenzaldehyde, Methyl Ether

    47. Ab00590421-08

    48. 613d456

    49. A833177

    50. Ak-087/40243220

    51. Q4596778

    52. W-105165

    53. F0913-0489

    54. (4-formyl-3-methoxyphenoxymethyl)polystyrene, 100-200 Mesh, Extent Of Labeling: 1.0-1.5 Mmol/g Loading, 1 % Cross-linked With Divinylbenzene

    55. Stratospheres(tm) Pl-fmp Resin, 100-200 Mesh, Extent Of Labeling: 0.9 Mmol/g Loading, 1 % Cross-linked

    56. Stratospheres(tm) Pl-fmp Resin, 50-100 Mesh, Extent Of Labeling: 1.6 Mmol/g Loading, 1 % Cross-linked

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 166.17 g/mol
    Molecular Formula C9H10O3
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass166.062994177 g/mol
    Monoisotopic Mass166.062994177 g/mol
    Topological Polar Surface Area35.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity147
    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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