2-Methoxy carbonyl cyclopentanone

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Also known as: 10472-24-9, Methyl 2-cyclopentanonecarboxylate, 2-carbmethoxycyclopentanone, Methyl 2-oxocyclopentane-1-carboxylate, Methyl cyclopentanone-2-carboxylate, Cyclopentanecarboxylic acid, 2-oxo-, methyl ester

Molecular Formula

C₇H₁₀O₃

Molecular Weight

142.15 g/mol

InChI Key

PZBBESSUKAHBHD-UHFFFAOYSA-N

1 2D Structure

CAS 10472-24-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-oxocyclopentane-1-carboxylate

2.1.2 InChI

InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3

2.1.3 InChI Key

PZBBESSUKAHBHD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1CCCC1=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 10472-24-9

2. Methyl 2-cyclopentanonecarboxylate

3. 2-carbmethoxycyclopentanone

4. Methyl 2-oxocyclopentane-1-carboxylate

5. Methyl Cyclopentanone-2-carboxylate

6. Cyclopentanecarboxylic Acid, 2-oxo-, Methyl Ester

7. Mfcd00001411

8. 2-methoxycarbonylcyclopentanone

9. 2-oxocyclopentanecarboxylic Acid Methyl Ester

10. Methyl-2-oxocyclopentane Carboxylate

11. Methyl-2-oxocyclopentanecarboxylate

12. Einecs 233-962-7

13. Methyl-2-oxocyclopentanoate

14. Schembl25061

15. 2-methoxycarbonylcylopentanone

16. 2-methoxycarbonyl-cyclopentanone

17. Methyl2-cyclopentanonecarboxylate

18. Dtxsid50884473

19. Methyl-2-oxocylopentanecarboxylate

20. Methy 2-oxocyclopentanecarboxylate

21. Methylcyclopentanone-2-carboxylate

22. Bcp23209

23. Methyl 2-oxo-cyclopentanecarboxylate

24. Methyl 2-oxocyclo-pentanecarboxylate

25. Methyl 2-oxocyclopentane Carboxylate

26. Methyl 2-oxocyclopentane-carboxylate

27. Str04302

28. Methyl-2-oxo-cyclopentanecarboxylate

29. Ac-974

30. Bbl027341

31. Fd9017

32. Stk802142

33. Akos005622625

34. Methyl 2-oxo-1-cyclopentanecarboxylate

35. Pb47456

36. 2-oxocyclopentanecarboxylate Methyl Ester

37. Methyl 2-oxocyclopentanecarboxylate, 95%

38. Sy006366

39. Db-002202

40. Am20070696

41. Cs-0007582

42. Ft-0628724

43. 2-oxo-cyclopentanecarboxylic Acid Methyl Ester

44. Cyclopentanone-2-carboxylic Acid Methyl Ester

45. Q-103266

46. F9995-1304

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₀O₃
Molecular Weight	142.15 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	142.062994177 g/mol
Monoisotopic Mass	142.062994177 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1