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    Also known as: 5743-36-2, Calcium dibutyrate, Butanoic acid, calcium salt, Calcium;butanoate, Calcium dibutanoate, Rm32sjb09d
    Molecular Formula
    C8H14CaO4
    Molecular Weight
    214.27  g/mol
    InChI Key
    FYPVXEILSNEKOO-UHFFFAOYSA-L
    FDA UNII
    RM32SJB09D
    Calcium Butyrate
    1 2D Structure

    Calcium Butyrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;butanoate
    2.1.2 InChI
    InChI=1S/2C4H8O2.Ca/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2
    2.1.3 InChI Key
    FYPVXEILSNEKOO-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    CCCC(=O)[O-].CCCC(=O)[O-].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    RM32SJB09D
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5743-36-2

    2. Calcium Dibutyrate

    3. Butanoic Acid, Calcium Salt

    4. Calcium;butanoate

    5. Calcium Dibutanoate

    6. Rm32sjb09d

    7. Calciumbutyrate

    8. Butyric Acid, Calcium Salt

    9. Unii-rm32sjb09d

    10. Einecs 227-265-7

    11. Dibutyric Acid Calcium Salt

    12. Greencab 70 Coated

    13. Schembl123022

    14. Dtxsid90206019

    15. Calcium Butyrate [who-dd]

    16. Akos015842903

    17. Cs-0188375

    18. Ft-0623381

    19. D84277

    20. Q27288183

    2.4 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 214.27 g/mol
    Molecular Formula C8H14CaO4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass214.0517998 g/mol
    Monoisotopic Mass214.0517998 g/mol
    Topological Polar Surface Area80.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity44
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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    03-Oct-2023
    30-Oct-2024
    KGS
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