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2D Structure
Also known as: 3721-95-7, Cyclobutylcarboxylic acid, Cyclo-butyl formic acid, Cyclobutane carboxylic acid, 0rdj7c51o0, Nsc-4535
Molecular Formula
C5H8O2
Molecular Weight
100.12  g/mol
InChI Key
TXWOGHSRPAYOML-UHFFFAOYSA-N
FDA UNII
0RDJ7C51O0

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclobutanecarboxylic acid
2.1.2 InChI
InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
2.1.3 InChI Key
TXWOGHSRPAYOML-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(C1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
0RDJ7C51O0
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3721-95-7

2. Cyclobutylcarboxylic Acid

3. Cyclo-butyl Formic Acid

4. Cyclobutane Carboxylic Acid

5. 0rdj7c51o0

6. Nsc-4535

7. Nsc 4535

8. Einecs 223-072-7

9. Mfcd00001323

10. Brn 1816777

11. Unii-0rdj7c51o0

12. Cyclobutan Carboxylic Acid

13. Cyclobutyl Carboxylic Acid

14. Cyclobutancecarboxylic Acid

15. Cyclobutane-carboxylic Acid

16. Cyclobutancarbonsäure

17. 4-cyclobutanecarboxylic Acid

18. Dsstox_cid_31514

19. Dsstox_rid_97399

20. Dsstox_gsid_57725

21. Schembl17470

22. Cyclobutane-1-carboxylic Acid

23. 4-09-00-00006 (beilstein Handbook Reference)

24. Cyclobutanecarboxylicacid

25. Chembl3560137

26. Dtxsid3057725

27. Amcb00076

28. Cyclobutanecarboxylic Acid, 98%

29. Nsc4535

30. Act03330

31. Zinc1673440

32. Tox21_113791

33. Stk802616

34. Akos000119716

35. Am62800

36. Cs-w011325

37. Gs-3206

38. Sb40646

39. Ncgc00253667-01

40. Ac-27351

41. Cas-3721-95-7

42. Db-016112

43. Ft-0624149

44. Aj-190/40848564

45. Sr-01000945129

46. Sr-01000945129-1

47. W-106559

48. Q27237141

49. F2191-0054

50. Z1270212509

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 100.12 g/mol
Molecular Formula C5H8O2
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass100.052429494 g/mol
Monoisotopic Mass100.052429494 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity84.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1