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CAS 1759-53-1
Also known as: 1759-53-1, Carboxycyclopropane, Cyclopropylcarboxylic acid, Cyclopropionic acid, Cyclopropane carboxylic acid, Cpc-acid
Molecular Formula
C4H6O2
Molecular Weight
86.09  g/mol
InChI Key
YMGUBTXCNDTFJI-UHFFFAOYSA-N
FDA UNII
008803351S

1 2D Structure

CAS 1759-53-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclopropanecarboxylic acid
2.1.2 InChI
InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
2.1.3 InChI Key
YMGUBTXCNDTFJI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC1C(=O)O
2.2 Other Identifiers
2.2.1 UNII
008803351S
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cpca Cpd

2. Cyclopropane Carboxylic Acid

2.3.2 Depositor-Supplied Synonyms

1. 1759-53-1

2. Carboxycyclopropane

3. Cyclopropylcarboxylic Acid

4. Cyclopropionic Acid

5. Cyclopropane Carboxylic Acid

6. Cpc-acid

7. Cyclopropanecarboxylicacid

8. Cyclopropyl Carboxylic Acid

9. Cyclopropane-carboxylic Acid

10. Nsc1112

11. Nsc-1112

12. 008803351s

13. Nsc 1112

14. Einecs 217-162-5

15. Cyclopropane Carboylic Acid

16. Brn 0969839

17. Ai3-30542

18. Mfcd00001287

19. Unii-008803351s

20. Cyclopropylmethanoic Acid

21. Cyclopropancarboxylic Acid

22. Cyclpropanecarboxylic Acid

23. Cyclopropan Carboxylic Acid

24. Cyclopropyl-carboxylic Acid

25. Wln: L3tj Avq

26. 2-cyclopropanecarboxylic Acid

27. 4-09-00-00003 (beilstein Handbook Reference)

28. 8 Olaparib Impurity 8

29. Chembl4649900

30. Dtxsid1040665

31. Chebi:23500

32. Cyclopropanecarboxylic Acid, 95%

33. Str00627

34. Zinc1587860

35. Stl168574

36. Akos000119770

37. Am83282

38. Cs-w018339

39. Db-016122

40. Ft-0624283

41. A812135

42. Cyclopropanecarboxylic Acid, Purum, >=98.0% (t)

43. Q-200907

44. Q2317381

45. F2191-0028

46. Z1258948161

47. Zpj

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 86.09 g/mol
Molecular Formula C4H6O2
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass86.036779430 g/mol
Monoisotopic Mass86.036779430 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity73.6
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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