CAS 411235-57-9

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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

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 Formula	C₃H₇BO₂
Molecular Weight	85.90 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	86.0539096 g/mol
Monoisotopic Mass	86.0539096 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	50.8
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