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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

CAS 1759-53-1
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

BUILDING BLOCK

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