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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

CAS 3721-95-7
1 2D Structure

CAS 3721-95-7

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

BUILDING BLOCK

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