CAS 16874-33-2

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BUILDING BLOCK

4 Suppliers, 4 End Use APIs, 19 Related Intermediates

4 Suppliers
4 End Use APIs
19 Related Intermediates

Chemistry

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Also known as: 2-tetrahydrofuroic acid, 16874-33-2, Tetrahydro-2-furoic acid, Oxolane-2-carboxylic acid, Tetrahydro-2-furancarboxylic acid, 2-furancarboxylic acid, tetrahydro-

Molecular Formula

C₅H₈O₃

Molecular Weight

116.11 g/mol

InChI Key

UJJLJRQIPMGXEZ-UHFFFAOYSA-N

FDA UNII

CJ7M2QK6X3

1 2D Structure

CAS 16874-33-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

oxolane-2-carboxylic acid

2.1.2 InChI

InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)

2.1.3 InChI Key

UJJLJRQIPMGXEZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(OC1)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

CJ7M2QK6X3

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Tetrahydro-2-furancarboxylic Acid

2. Tetrahydrofuroic Acid

3. Thfc

2.3.2 Depositor-Supplied Synonyms

1. 2-tetrahydrofuroic Acid

2. 16874-33-2

3. Tetrahydro-2-furoic Acid

4. Oxolane-2-carboxylic Acid

5. Tetrahydro-2-furancarboxylic Acid

6. 2-furancarboxylic Acid, Tetrahydro-

7. Furancarboxylic Acid, Tetrahydro-

8. Cj7m2qk6x3

9. Nsc-521564

10. Thfc

11. 1219798-42-1

12. Unii-cj7m2qk6x3

13. Tetrahydro-furan-2-carboxylic Acid

14. Mfcd00272639

15. Tetrahydrofuroic Acid

16. Ai3-25435

17. Tetrahydro 2-furanoic Acid

18. Ec 605-530-1

19. Schembl92737

20. Tetrahydrofuran Carboxylic Acid

21. Chembl4447232

22. Tetrahydro-2-furoic Acid-[d7]

23. 2-tetrahydro-furancarboxylic Acid

24. Tetrahydro-2-furoic Acid, 97%

25. Ujjljrqipmgxez-uhfffaoysa-

26. Us10562844, Compound 2

27. (+/-)-tetrahydro-2-furoic Acid

28. Bdbm433354

29. Dtxsid601030927

30. Tetrahydrofurane-2-carboxylic Acid

31. Str03950

32. Bbl001404

33. Mfcd00022473

34. Nsc521564

35. Rac-tetrahydrofuran-2-carboxylic Acid

36. Stl114883

37. Akos000120689

38. Akos016370856

39. Cs-w018496

40. Nsc 521564

41. Sb44722

42. Tetrahydrofuran-2-carboxylicacid

43. (s)-(-)-2-carboxytetrahydrofuroicacid

44. (r,s)-tetrahydrofuran-2-carboxylic Acid

45. (rs)-tetrahydro-furan-2-carboxylic Acid

46. (+/-)-tetrahydrofuran-2-carboxylic Acid

47. (^+)-tetrahydro-2-furoic Acid, 97+%

48. Sy016392

49. Ts-01601

50. (r)?-?(+)?-?2-?tetrahydrofuroic Acid

51. Db-016192

52. Db-018123

53. Am20090013

54. Ft-0604460

55. Ft-0605098

56. Ft-0605216

57. Ft-0605347

58. T1348

59. 1,2,3,4-tetrahydrofuran-2-carboxylic Acid

60. J-502313

61. J-510334

62. Q15634146

63. F2191-0139

64. Terazosin Hydrochloride Impurity, Tetrahydro-2-furancarboxylic Acid- [usp Impurity]

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₈O₃
Molecular Weight	116.11 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	116.047344113 g/mol
Monoisotopic Mass	116.047344113 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	99.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1