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    Technical details about DSSTox_CID_31510, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_31510

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 3453-33-6, 6-methoxynaphthalene-2-carbaldehyde, 6-methoxy-2-naphthalaldehyde, 6-methoxy-naphthalene-2-carbaldehyde, 6-methoxy-2-naphthalenecarboxaldehyde, Mfcd00081152
    Molecular Formula
    C12H10O2
    Molecular Weight
    186.21  g/mol
    InChI Key
    VZBLASFLFFMMCM-UHFFFAOYSA-N
    FDA UNII
    9244L5L5ZY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-methoxynaphthalene-2-carbaldehyde
    2.1.2 InChI
    InChI=1S/C12H10O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-8H,1H3
    2.1.3 InChI Key
    VZBLASFLFFMMCM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=C1)C=C(C=C2)C=O
    2.2 Other Identifiers
    2.2.1 UNII
    9244L5L5ZY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-methoxy-2-naphthalaldehyde

    2. 6-methoxy-2-naphthalenecarboxaldehyde

    3. Monal-62

    2.3.2 Depositor-Supplied Synonyms

    1. 3453-33-6

    2. 6-methoxynaphthalene-2-carbaldehyde

    3. 6-methoxy-2-naphthalaldehyde

    4. 6-methoxy-naphthalene-2-carbaldehyde

    5. 6-methoxy-2-naphthalenecarboxaldehyde

    6. Mfcd00081152

    7. 2-naphthalenecarboxaldehyde, 6-methoxy-

    8. Monal-62

    9. 9244l5l5zy

    10. Unii-9244l5l5zy

    11. Einecs 222-377-2

    12. 6-methoxy-2-napthaldehyde

    13. Dsstox_cid_31510

    14. Dsstox_rid_97395

    15. Dsstox_gsid_57721

    16. 2-formyl-6-methoxynaphthalene

    17. Schembl271175

    18. Chembl3561749

    19. Dtxsid3057721

    20. Zinc157225

    21. 6-methoxy-2-naphthaldehyde, 98%

    22. Tox21_113771

    23. 2-methoxynaphthalene-6-carboxaldehyde

    24. Akos000120612

    25. Ac-4360

    26. Cs-w016900

    27. Gs-3167

    28. Ncgc00253645-01

    29. Sy007526

    30. Cas-3453-33-6

    31. Db-048639

    32. 2-methoxy-6-naphthalenecarboxaldehyde

    33. Am20060609

    34. Ft-0621183

    35. M1090

    36. En300-21083

    37. 53m336

    38. Sr-01000944800

    39. Sr-01000944800-1

    40. W-106732

    41. Q27271470

    42. Nabumetone Impurity, 6-methoxy-2-naphthaldehyde- [usp Impurity]

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 186.21 g/mol
    Molecular Formula C12H10O2
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass186.068079557 g/mol
    Monoisotopic Mass186.068079557 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity203
    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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