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    CAS 78515-16-9 manufacturers and suppliers on PharmaCompass

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    Methyl 5-formyl-2-methoxybenzoate

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    PharmaCompass
    Methyl 5-formyl-2-methoxybenzoate
    Also known as: 78515-16-9, Methyl5-formyl-2-methoxybenzoate, Benzoic acid, 5-formyl-2-methoxy-, methyl ester, Mfcd10565654, Schembl1505421, Dtxsid60446041
    Molecular Formula
    C10H10O4
    Molecular Weight
    194.18  g/mol
    InChI Key
    CNRMXICSYWVJRD-UHFFFAOYSA-N
    1 2D Structure

    Methyl 5-formyl-2-methoxybenzoate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 5-formyl-2-methoxybenzoate
    2.1.2 InChI
    InChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3
    2.1.3 InChI Key
    CNRMXICSYWVJRD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)C=O)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 78515-16-9

    2. Methyl5-formyl-2-methoxybenzoate

    3. Benzoic Acid, 5-formyl-2-methoxy-, Methyl Ester

    4. Mfcd10565654

    5. Schembl1505421

    6. Dtxsid60446041

    7. Methyl 2-methoxy-5-formylbenzoate

    8. Amy40860

    9. Bcp17120

    10. Cs-m3114

    11. Zinc34534608

    12. Akos005216242

    13. 4-methoxy-3-methoxycarbonylbenzaldehyde

    14. Ac-22887

    15. Ds-17501

    16. Sy002305

    17. 5-formyl-2-methoxybenzoic Acid Methyl Ester

    18. Ft-0690135

    19. M3327

    20. A23736

    21. 515m169

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 194.18 g/mol
    Molecular Formula C10H10O4
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass194.05790880 g/mol
    Monoisotopic Mass194.05790880 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity214
    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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