loader
Please Wait
Applying Filters...

Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 3943-89-3, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS-3943-89-3

    Manufacturers/Suppliers

    PharmaCompass

    Bora Pharmaceuticals- Making success more certain.

    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

    2D Structure
    1. Also known as: 3943-89-3, Ethyl protocatechuate, 3,4-dihydroxybenzoic acid ethyl ester, Ethyl-3,4-dihydroxybenzoate, Protocatechuic acid ethyl ester, Benzoic acid, 3,4-dihydroxy-, ethyl ester
    Molecular Formula
    C9H10O4
    Molecular Weight
    182.17  g/mol
    InChI Key
    KBPUBCVJHFXPOC-UHFFFAOYSA-N
    FDA UNII
    4YGJ96WTBG
    ethyl protocatechuate is a natural product found in Liatris elegans, Xylocarpus granatum, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 3,4-dihydroxybenzoate
    2.1.2 InChI
    InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
    2.1.3 InChI Key
    KBPUBCVJHFXPOC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC(=C(C=C1)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    4YGJ96WTBG
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,4-dihydroxybenzoic Acid Ethyl Ester

    2. Ethyl Protocatechuate

    3. Ethyl-3,4-dihydroxybenzoate

    2.3.2 Depositor-Supplied Synonyms

    1. 3943-89-3

    2. Ethyl Protocatechuate

    3. 3,4-dihydroxybenzoic Acid Ethyl Ester

    4. Ethyl-3,4-dihydroxybenzoate

    5. Protocatechuic Acid Ethyl Ester

    6. Benzoic Acid, 3,4-dihydroxy-, Ethyl Ester

    7. Mfcd00002199

    8. 4ygj96wtbg

    9. Chembl486216

    10. Nsc-86130

    11. Edhb

    12. Unii-4ygj96wtbg

    13. Einecs 223-529-0

    14. Nsc 86130

    15. Ec 223-529-0

    16. 3,4-dhbeeop

    17. 3,4-dihydroxyethyl Benzoate

    18. Dsstox_cid_31521

    19. Dsstox_rid_97406

    20. Dsstox_gsid_57732

    21. Schembl39791

    22. Ethyl-3,4-dihydroxy-benzoate

    23. Dtxsid2057732

    24. Protocatechuic Acid, Ethyl Ester

    25. Chebi:132364

    26. Zinc403548

    27. Act08393

    28. Amy40110

    29. Bcp26356

    30. Nsc86130

    31. Tox21_113836

    32. Bdbm50428394

    33. Nsc619681

    34. Akos015856218

    35. Protocatechuic Acid Ethyl Ester, 97%

    36. Ac-9614

    37. Cs-w017125

    38. Fd16015

    39. Hy-w016409

    40. Nsc-619681

    41. Ps-4053

    42. 3,4-dihydroxy-benzoic Acid Ethyl Ester

    43. 3,4-dihydroxybenzoic Acid, Ethyl Ester

    44. Benzoic Acid,4-dihydroxy-, Ethyl Ester

    45. Ncgc00253717-01

    46. Sy017737

    47. Cas-3943-89-3

    48. Db-013234

    49. A6602

    50. D0571

    51. Ft-0625754

    52. 943e893

    53. Sr-01000944711

    54. 3,4-dihydroxybenzoic Acid, Ethyl Ester, Homopolymer

    55. Q3277971

    56. Sr-01000944711-1

    57. W-106433

    58. F0001-1109

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 182.17 g/mol
    Molecular Formula C9H10O4
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass182.05790880 g/mol
    Monoisotopic Mass182.05790880 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity181
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY