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    CAS 547-63-7

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 547-63-7, Methyl 2-methylpropanoate, Propanoic acid, 2-methyl-, methyl ester, Methyl isobutanoate, Methyl 2-methylpropionate, Isobutyric acid, methyl ester
    Molecular Formula
    C5H10O2
    Molecular Weight
    102.13  g/mol
    InChI Key
    BHIWKHZACMWKOJ-UHFFFAOYSA-N
    FDA UNII
    EM286QL922
    Methyl-2-methylpropanoate is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-methylpropanoate
    2.1.2 InChI
    InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
    2.1.3 InChI Key
    BHIWKHZACMWKOJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    EM286QL922
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Methyl 2-methylpropanoate

    2.3.2 Depositor-Supplied Synonyms

    1. 547-63-7

    2. Methyl 2-methylpropanoate

    3. Propanoic Acid, 2-methyl-, Methyl Ester

    4. Methyl Isobutanoate

    5. Methyl 2-methylpropionate

    6. Isobutyric Acid, Methyl Ester

    7. Methylisobutyrate

    8. Isobutyric Acid Methyl Ester

    9. 106989-11-1

    10. Poly(l-lactide) 1.0 Dl/g

    11. Fema No. 2694

    12. Methylester Kyseliny Isomaselne

    13. Nsc 126780

    14. 26161-42-2

    15. 2-methylpropanoic Acid Methyl Ester

    16. Poly(l-lactide) 2.0 Dl/g

    17. Poly(l-lactide) 4.0 Dl/g

    18. Em286ql922

    19. Poly(l-lactic Acid)

    20. Nsc-126780

    21. Mfcd00166383

    22. Poly(d-lactide)

    23. D-lactide Polymer

    24. Methyl Isobutyrate (natural)

    25. Einecs 208-929-5

    26. Methylester Kyseliny Isomaselne [czech]

    27. Brn 1740720

    28. Unii-em286ql922

    29. Mfcd00008914

    30. Isobutyric Acid Methyl

    31. Methyl Methylpropanoate

    32. Methyl 2-methylproponate

    33. Methyl Isobutyrate, 99%

    34. Methyl Methacrylate Polymer

    35. Isobutyric Acid-methyl Ester

    36. Schembl66536

    37. Iso Butyric Acid Methyl Ester

    38. (ch3)2chc(o)och3

    39. Methyl Isobutyrate, 99%, Fg

    40. Wln: 1y1&vo1

    41. Methyl Isobutyrate [mi]

    42. Poly(d-lactide) ~1.2 Dl/g

    43. Dtxsid5060275

    44. Methyl Isobutyrate [fcc]

    45. Chebi:73689

    46. Fema 2694

    47. Methyl Isobutyrate [fhfi]

    48. Methyl Isobutyrate, Natural, 98%

    49. Zinc388287

    50. Bba16142

    51. Cs-d1465

    52. Mfcd00131929

    53. Nsc126780

    54. Methacrylic Acid Methyl Ester Polymer

    55. 2-methyl-propanoic Acid, Methyl Ester

    56. Akos005259719

    57. At32202

    58. Bp-30192

    59. Bs-22318

    60. Ft-0628333

    61. I0106

    62. M0088

    63. A830359

    64. Propanoic Acid, 2-hydroxy-, (2r)-, Homopolymer

    65. Q146123

    66. J-522610

    67. Q27143856

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 102.13 g/mol
    Molecular Formula C5H10O2
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass102.068079557 g/mol
    Monoisotopic Mass102.068079557 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity66.5
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1