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2D Structure
Also known as: 13061-96-6, Methaneboronic acid, Methyl boronic acid, Boronic acid, methyl-, Dihydroxymethylborane, Methylboronicacid
Molecular Formula
CH5BO2
Molecular Weight
59.86  g/mol
InChI Key
KTMKRRPZPWUYKK-UHFFFAOYSA-N
FDA UNII
8Z1ME41SCH

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methylboronic acid
2.1.2 InChI
InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3
2.1.3 InChI Key
KTMKRRPZPWUYKK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B(C)(O)O
2.2 Other Identifiers
2.2.1 UNII
8Z1ME41SCH
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Methaneboronic Acid

2.3.2 Depositor-Supplied Synonyms

1. 13061-96-6

2. Methaneboronic Acid

3. Methyl Boronic Acid

4. Boronic Acid, Methyl-

5. Dihydroxymethylborane

6. Methylboronicacid

7. Methane Boronic Acid

8. Mfcd00002105

9. 8z1me41sch

10. Methyl-boronic Acid

11. 116234-45-8

12. Unii-8z1me41sch

13. Methyboronic Acid

14. Boronicacid, Methyl-

15. Methylboronic Acid 98%

16. Meb(oh)2

17. Methylboronic Acid, 97%

18. Ch3b(oh)2

19. Boronic Acid, Methyl- (9ci)

20. Chembl257679

21. Methylboronic Acid [ii]

22. Bdbm39818

23. Dtxsid20156639

24. Albb-014506

25. Bcp10976

26. Str07997

27. Bbl101819

28. Stl555616

29. Akos005174709

30. Zinc169743200

31. Cs-w018525

32. Sb11771

33. Ncgc00249444-01

34. Sy001105

35. Db-007693

36. Ft-0600796

37. M1553

38. 061m966

39. 2-methylhydrogenpyridine-2,5-dicarboxylate

40. A888694

41. Q-101086

42. Q27271221

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 59.86 g/mol
Molecular Formula CH5BO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass60.0382596 g/mol
Monoisotopic Mass60.0382596 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count4
Formal Charge0
Complexity13.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1