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    CAS 90536-66-6
    Also known as: 90536-66-6, 4-(methylsulfonyl)phenylacetic acid, 4-methylsulphonylphenylacetic acid, 4-mesylphenylacetic acid, 2-[4-(methylsulfonyl)phenyl]acetic acid, [4-(methylsulfonyl)phenyl]acetic acid
    Molecular Formula
    C9H10O4S
    Molecular Weight
    214.24  g/mol
    InChI Key
    HGGWOSYNRVOQJH-UHFFFAOYSA-N
    FDA UNII
    C39I2W89XI
    1 2D Structure

    CAS 90536-66-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-methylsulfonylphenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
    2.1.3 InChI Key
    HGGWOSYNRVOQJH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    C39I2W89XI
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 90536-66-6

    2. 4-(methylsulfonyl)phenylacetic Acid

    3. 4-methylsulphonylphenylacetic Acid

    4. 4-mesylphenylacetic Acid

    5. 2-[4-(methylsulfonyl)phenyl]acetic Acid

    6. [4-(methylsulfonyl)phenyl]acetic Acid

    7. 2-(4-methylsulfonylphenyl)acetic Acid

    8. (4-methanesulfonylphenyl)acetic Acid

    9. 4-methylsulfonylphenylacetic Acid

    10. 4-(methanesulfonyl)phenylacetic Acid

    11. 4-methylsulfonyl Benzeneacetic Acid

    12. Etoricoxib Related Compound B

    13. C39i2w89xi

    14. Benzeneacetic Acid, 4-(methylsulfonyl)-

    15. 4-(methylsulphonyl)phenylacetic Acid

    16. 4-(methylsulfonyl)benzeneacetic Acid

    17. Mfcd00216495

    18. 4-(methylsulfonyl)-benzeneacetic Acid

    19. 4-(methylsulfonyl)-phenyl Acetic Acid

    20. (4-methanesulfonyl-phenyl)-acetic Acid

    21. 2-[4-(methylsulfonyl)phenyl]acetic Acid; 4-(methylsulfonyl)benzeneacetic Acid

    22. 2-(4-methanesulfonylphenyl)acetic Acid

    23. 4-mesylbenzeneacetic Acid

    24. 4-mesyl-phenylacetic Acid

    25. Unii-c39i2w89xi

    26. Oprea1_189315

    27. Schembl168163

    28. Amy478

    29. Dtxsid70341331

    30. 4-methanesulfonylphenylacetic Acid

    31. 4-methanesulphonylphenylacetic Acid

    32. Hms1664f14

    33. Zinc153769

    34. 4-methylsulfonyl-benzeneacetic Acid

    35. Albb-006288

    36. Bcp07428

    37. Cs-b0763

    38. 4-methylsulphonyl Phenyl Acetic Acid

    39. 4-(methanesulphonyl)phenylacetic Acid

    40. 4-(methylsulfonyl) Phenylacetic Acid

    41. 4-(methylsulfonyl)phenyl Acetic Acid

    42. Benzenacetic Acid, 4-methylsulfonyl-

    43. Ccg-48327

    44. Stk503807

    45. 4-(methanesulfonyl)phenyl Acetic Acid

    46. Akos000279299

    47. Ab04884

    48. Ds-7927

    49. 2-(4-(methylsulfonyl)phenyl)aceticacid

    50. [4-(methylsulfonyl)phenyl]acetic Acid #

    51. Sy028982

    52. 4-(methylsulfonyl)phenylacetic Acid, 97%

    53. Db-057210

    54. Ft-0616799

    55. M1899

    56. Sr-01000637878-1

    57. Brd-k15278633-001-01-3

    58. Q27275141

    59. Etoricoxib Related Compound B, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 214.24 g/mol
    Molecular Formula C9H10O4S
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass214.02997997 g/mol
    Monoisotopic Mass214.02997997 g/mol
    Topological Polar Surface Area79.8 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity293
    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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                                      Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, ...
                                      Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecules & Chemical Preparation. We are Bulk Drugs and Chemical manufactures, Suppliers and Exporters. We have very strong team of Technocrats & Technical People engaged mainly into the New Molecules for various Multinational Companies. The company is now aimed towards the International Market & as our first step to it, we have started implementation of ISO 9001:2000 which is expected to be completed by end of 2002.
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                                      Riddhi Pharma

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                                        TERT-BUTYL MAGNESIUM CHLORIDE

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                                        677-22-5
                                        Etoricoxib
                                        Riddhi Pharma was set up in 1997 as a Manufacturer of API’s Intermediates and Fine Chemicals, especiall...
                                        Riddhi Pharma was set up in 1997 as a Manufacturer of API’s Intermediates and Fine Chemicals, especially in the field of Friedel Crafts Reaction / Bromination and Chlorination. The establishment of the company itself was motivated by a strong desire to provide Quality Bulk API’s Intermediates in the most cost-effective way. Right our inception, we are focused on exploiting the potential of the Pharmaceutical Industry and our articulate vision has made us a significant player in Bulk API’s Sector.
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                                        Sagar Life Sciences

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                                          Triflic Anhydride

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                                          358-23-6
                                          Etoricoxib
                                          We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating...
                                          We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds, Industrial Acids, Industrial Chemicals, Zinc Acetates, Calcium Chloride Dihydrates, Speciality Chemicals, and other products, Sagar Life Science Private Limited is a customer-centric business with a primary focus on innovations, quality, and customization. Since sustainability is among our core values, we concentrate on improving the efficiency of our processes to manufacture sustainable results.
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                                          SANIKA CHEMICALS PVT. LTD

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                                            1-(6-Methyl pyridin-3-yI)-2-[4-(methyl Sulfonyl) phenyl...

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                                            221615-75-4
                                            Etoricoxib
                                            Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...
                                            Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.
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                                            SANIKA CHEMICALS PVT. LTD

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                                              4-Methyl Thio Benzyl Cyanide

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                                              18991-39-4
                                              Etoricoxib
                                              Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...
                                              Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.
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                                              SANIKA CHEMICALS PVT. LTD

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                                                Methyl 6-Methyl Nicotinate

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                                                5470-70-2
                                                Etoricoxib
                                                Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...
                                                Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.
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                                                Sanpra Synthesis

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                                                  2-Chloro-1,3-bis(DimethylAmino)Triethinuinu Hexafluoro ...

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                                                  249561-98-6
                                                  Etoricoxib
                                                  Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...
                                                  Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.
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                                                  Shenzhen HwaGen Pharmaceutical

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                                                    2-chloro-1,3-bis(dimentylamino)trimethinium hexafluorop...

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                                                    249561-98-6
                                                    Etoricoxib
                                                    Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
                                                    Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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                                                    Shenzhen HwaGen Pharmaceutical

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                                                      1-(6-Methylpyridin-3-yl)-2-[4-(methylthio)phenyl]ethano...

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                                                      221615-72-1
                                                      Etoricoxib
                                                      Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
                                                      Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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