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CAS 547-63-7
PharmaCompass
  • Chemistry
CAS 547-63-7
Also known as: Methyl 2-methylpropanoate, 547-63-7, Methyl 2-methylpropionate, Methyl isobutanoate, Propanoic acid, 2-methyl-, methyl ester, Isobutyric acid, methyl ester
Molecular Formula
C5H10O2
Molecular Weight
102.133  g/mol
InChI Key
BHIWKHZACMWKOJ-UHFFFAOYSA-N
FDA UNII
EM286QL922

1 2D Structure

CAS 547-63-7

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 Depositor-Supplied Synonyms

1. Methyl 2-methylpropanoate

2. 547-63-7

3. Methyl 2-methylpropionate

4. Methyl Isobutanoate

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

6. Isobutyric Acid, Methyl Ester

7. Methylisobutyrate

8. Isobutyric Acid Methyl Ester

9. Poly(d-lactide)

10. Methyl Isobutyrate (natural)

11. Methylester Kyseliny Isomaselne

12. Nsc 126780

13. Unii-em286ql922

14. Fema No. 2694

15. Einecs 208-929-5

16. Methylester Kyseliny Isomaselne [czech]

17. Brn 1740720

18. Poly(l-lactide) 1.0 Dl/g

19. Poly(l-lactide) 2.0 Dl/g

20. Poly(l-lactide) 4.0 Dl/g

21. Bhiwkhzacmwkoj-uhfffaoysa-n

22. L-lactide Polymer

23. Sbb061111

24. Poly(l-lactic Acid)

25. 106989-11-1

26. Mfcd00008914

27. 26161-42-2

28. 2-methylpropanoic Acid Methyl Ester

29. Isobutyric Acid Methyl

30. Methyl Methylpropanoate

31. Acmc-209ljh

32. Methyl 2-methylproponate

33. Ac1l1whk

34. Methyl Isobutyrate, 99%

35. Methyl Methacrylate Polymer

36. Schembl66536

37. Iso Butyric Acid Methyl Ester

38. Ksc489q2p

39. (ch3)2chc(o)och3

40. Ac1q41o5

41. Methyl Isobutyrate, 99%, Fg

42. Wln: 1y1&vo1

43. Dtxsid5060275

44. Chebi:73689

45. Ctk3i9827

46. Fema 2694

47. Molport-002-461-935

48. Em286ql922

49. Methyl Isobutyrate, Natural, 98%

50. Zinc388287

51. Cs-d1465

52. Ks-00000wc9

53. Anw-32187

54. Nsc126780

55. Methacrylic Acid Methyl Ester Polymer

56. 2-methyl-propanoic Acid, Methyl Ester

57. Akos005259719

58. Mcule-8740211817

59. Nsc-126780

60. Rp18768

61. Rtr-019363

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

63. Tra-0191289

64. An-45818

65. Bp-30192

66. Cj-03189

67. Kb-54986

68. Ls-84405

69. Sc-18496

70. Zb011405

71. Tr-019363

72. Ft-0628333

73. I0106

74. M0088

75. St51047174

76. A830359

77. I14-2602

78. J-522610

79. Poly(methyl Methacrylate), Mw ~ 550,000 50g

80. Inchi=1/c5h10o2/c1-4(2)5(6)7-3/h4h,1-3h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 102.133 g/mol
Molecular Formula C5H10O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass102.068 g/mol
Monoisotopic Mass102.068 g/mol
Topological Polar Surface Area26.3 A^2
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
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