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Also known as: 411235-57-9, Cyclopropyl boronic acid, Cyclopropaneboronic acid, Cyclopropylboronicacid, Boronic acid, cyclopropyl-, Mfcd04038750
Molecular Formula
C3H7BO2
Molecular Weight
85.90  g/mol
InChI Key
WLVKDFJTYKELLQ-UHFFFAOYSA-N

CAS 411235-57-9
1 2D Structure

CAS 411235-57-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclopropylboronic acid
2.1.2 InChI
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
2.1.3 InChI Key
WLVKDFJTYKELLQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B(C1CC1)(O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 411235-57-9

2. Cyclopropyl Boronic Acid

3. Cyclopropaneboronic Acid

4. Cyclopropylboronicacid

5. Boronic Acid, Cyclopropyl-

6. Mfcd04038750

7. Boronic Acid, Cyclopropyl- (9ci)

8. Cyclopropyl-boronic Acid

9. Cyclopropylboranediol

10. Cyclopropyboronic Acid

11. Cyclopropylboromc Acid

12. Cycloproylboronic Acid

13. Cyclopropanboronic Acid

14. Cylcopropylboronic Acid

15. Cyclopropyl Boronic Cid

16. Cycloproyl Boronic Acid

17. Cyclo-propylboronic Acid

18. Cyclopropanylboronic Acid

19. Cyclopropane Boronic Acid

20. Cyclo-propyl Boronic Acid

21. Dtxsid00375402

22. Act02189

23. Bcp27024

24. Cs-d1018

25. Bbl104367

26. Stl558619

27. Zb0043

28. Akos004119250

29. Zinc169743788

30. Ab17174

31. Ac-6414

32. Gs-6568

33. Ncgc00249445-01

34. Bp-10013

35. Sy004028

36. Db-014145

37. Am20100093

38. Ft-0630055

39. Ft-0652978

40. 235c579

41. Q-200912

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 85.90 g/mol
Molecular Formula C3H7BO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass86.0539096 g/mol
Monoisotopic Mass86.0539096 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity50.8
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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