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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

Methylboronic Acid

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 Formula	CH₅BO₂
Molecular Weight	59.86 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	60.0382596 g/mol
Monoisotopic Mass	60.0382596 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	13.5
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

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