CAS 1759-53-1

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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

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 Formula	C₄H₆O₂
Molecular Weight	86.09 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	86.036779430 g/mol
Monoisotopic Mass	86.036779430 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	73.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1