CAS 27329-70-0

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Also known as: 27329-70-0, (5-formylfuran-2-yl)boronic acid, 5-formyl-2-furanboronic acid, 5-formylfuran-2-boronic acid, 5-formyl-2-furylboronic acid, 5-formyl-2-furanylboronic acid

Molecular Formula

C₅H₅BO₄

Molecular Weight

139.90 g/mol

InChI Key

JUWYQISLQJRRNT-UHFFFAOYSA-N

1 2D Structure

CAS 27329-70-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-formylfuran-2-yl)boronic acid

2.1.2 InChI

InChI=1S/C5H5BO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H

2.1.3 InChI Key

JUWYQISLQJRRNT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(C1=CC=C(O1)C=O)(O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 27329-70-0

2. (5-formylfuran-2-yl)boronic Acid

3. 5-formyl-2-furanboronic Acid

4. 5-formylfuran-2-boronic Acid

5. 5-formyl-2-furylboronic Acid

6. 5-formyl-2-furanylboronic Acid

7. (5-formyl-2-furanyl)boronic Acid

8. 5-formylfuran-2-ylboronic Acid

9. (5-formyl-2-furyl)boronic Acid

10. Mfcd01114696

11. Boronic Acid, (5-formyl-2-furanyl)-

12. 5-borono-2-furaldehyde

13. 5-(dihydroxyboranyl)furan-2-carbaldehyde

14. Schembl9221

15. 5-formylfuran-2-boronicacid

16. 5-formyl-2 Furylboronic Acid

17. Ai-372/25005759

18. 5-formyl-2-furan Boronic Acid

19. 5-formyl-2-furan-boronic Acid

20. 5-formyl-2-furyl Boronic Acid

21. 5-formyl-furan-2-boronic Acid

22. 2-formyl-5-furanylboronic Acid

23. (5-formylfuran-2-yl)boronicacid

24. (5-formylfuran-2yl)boronic Acid

25. Dtxsid50370245

26. (5-formylfuran-2y1)boronic Acid

27. Act01872

28. Bcp22987

29. Stl305009

30. Td8089

31. Akos000320207

32. Zinc169747014

33. Ac-6210

34. Cs-w009133

35. Gs-6784

36. Boronic Acid, B-(5-formyl-2-furanyl)-

37. Sy007281

38. A5315

39. Am20090813

40. F0611

41. Ft-0620438

42. J-517570

43. Q-101359

44. F1371-0203

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₅H₅BO₄
Molecular Weight	139.90 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	140.0280888 g/mol
Monoisotopic Mass	140.0280888 g/mol
Topological Polar Surface Area	70.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	127
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