Please Wait
Applying Filters...
menu
    • menu
    SPI Pharma has been solving formulation challenges using superior functional materials.

    Virtual Booth

    Contact Supplier

    As a CDMO, Mikart offers integrated CDMO services for Solid Dose & Non-sterile Liquid formulations.

    Virtual Booth

    Contact Supplier

    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    End-to-end drug development, specializing in high-potency softgels and liquids, providing global partners with a competitive advantage.

    Virtual Booth

    Contact Supplier

    Minakem delivers API, HPAPI, steroids & CDMO services for generics with FDA/GMP certification, regulatory know-how & proven success.

    Virtual Booth

    Contact Supplier

    jdmfs-not-supported-m-2025-06-23

    Virtual Booth

    An Enquiry

    Menu

    CAS 623-68-7

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 623-68-7, But-2-enoic anhydride, Crotonic acid anhydride, 78957-07-0, 2-butenoic acid, anhydride, (e)-but-2-enoic anhydride
    Molecular Formula
    C8H10O3
    Molecular Weight
    154.16  g/mol
    InChI Key
    VJDDQSBNUHLBTD-GGWOSOGESA-N
    FDA UNII
    N521PMQ949
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(E)-but-2-enoyl] (E)-but-2-enoate
    2.1.2 InChI
    InChI=1S/C8H10O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H,1-2H3/b5-3+,6-4+
    2.1.3 InChI Key
    VJDDQSBNUHLBTD-GGWOSOGESA-N
    2.1.4 Canonical SMILES
    CC=CC(=O)OC(=O)C=CC
    2.1.5 Isomeric SMILES
    C/C=C/C(=O)OC(=O)/C=C/C
    2.2 Other Identifiers
    2.2.1 UNII
    N521PMQ949
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 623-68-7

    2. But-2-enoic Anhydride

    3. Crotonic Acid Anhydride

    4. 78957-07-0

    5. 2-butenoic Acid, Anhydride

    6. (e)-but-2-enoic Anhydride

    7. [(e)-but-2-enoyl] (e)-but-2-enoate

    8. 2-butenoic Anhydride

    9. N521pmq949

    10. Nsc-97397

    11. Anhydrid Kyseliny Krotonove

    12. Hsdb 2815

    13. Anhydrid Kyseliny Krotonove [czech]

    14. Einecs 210-807-1

    15. Nsc 97397

    16. Unii-n521pmq949

    17. But-2-enoicanhydride

    18. Di(2-butenoic)anhydride

    19. Crotonic Acid Anhydrous??

    20. Crotonic Anhydride, 95%

    21. Schembl16503

    22. Schembl16505

    23. Trans-crotonic Acid Anhydride

    24. Wln: 2u1vov1u2

    25. (e)-crotonic Anhydride

    26. Trans-crotonic Anhydride

    27. Crotonic Anhydride [hsdb]

    28. Dtxsid50870710

    29. 2-butenoic Acid, 1,1'-anhydride

    30. Nsc97397

    31. Mfcd00009286

    32. Zinc95818015

    33. Akos015912798

    34. Bs-42282

    35. (e)-but-2-enoic Acid [(e)-but-2-enoyl] Ester

    36. A833742

    37. Q27284563

    38. 2-butenoic Acid, 1,1'-anhydride, (2e,2'e)-

    2.4 Create Date
    2005-09-13
    3 Chemical and Physical Properties
    Molecular Weight 154.16 g/mol
    Molecular Formula C8H10O3
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass154.062994177 g/mol
    Monoisotopic Mass154.062994177 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity179
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1