CAS 3663-80-7

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 14 Related Intermediates

3 Suppliers
3 End Use APIs
14 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 3663-80-7, 1,4-benzodioxan-2-carboxylic acid, 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic acid, 2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 34385-93-8, 1,4-benzodioxin-2-carboxylic acid, 2,3-dihydro-

Molecular Formula

C₉H₈O₄

Molecular Weight

180.16 g/mol

InChI Key

HMBHAQMOBKLWRX-UHFFFAOYSA-N

FDA UNII

T9Z56HV1B0

1 2D Structure

CAS 3663-80-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

2.1.2 InChI

InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)

2.1.3 InChI Key

HMBHAQMOBKLWRX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(OC2=CC=CC=C2O1)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

T9Z56HV1B0

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3663-80-7

2. 1,4-benzodioxan-2-carboxylic Acid

3. 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic Acid

4. 2,3-dihydro-1,4-benzodioxine-2-carboxylic Acid

5. 34385-93-8

6. 1,4-benzodioxin-2-carboxylic Acid, 2,3-dihydro-

7. Rac 1,4-benzodioxane-2-carboxylic Acid

8. Doxazosin Impurity A

9. 2,3-dihydro-1,4-benzodioxine-3-carboxylic Acid

10. (2rs)-2,3-dihydro-1,4-benzodioxine-2-carboxylic Acid

11. 1,4-benzodioxane 2-carboxylic Acid

12. Rx 811056

13. Rx-811056

14. T9z56hv1b0

15. (+/-)-1,4-benzodioxan-2-carboxylic Acid

16. 2,3-dihydro-1,4-benzodioxin-2-carboxylic Acid

17. 2,3-dihydrobenzo(b)(1,4)dioxine-2-carboxylic Acid

18. Mfcd00084888

19. 2,3-dihydrobenzo[1,4]dioxine-2-carboxylic Acid

20. (s)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic Acid

21. Unii-t9z56hv1b0

22. Cholinehydroxide

23. Doxazosin Mesilate Impurity A [ep]

24. Cds1_000297

25. Usp Doxazosin Related Compound D [usp]

26. Maybridge1_002585

27. Usp Doxazosin Related Compound D Rs [usp]

28. Chemdiv2_003276

29. 2-benzodioxanecarboxylic Acid

30. Oprea1_073520

31. Divk1c_001337

32. Schembl229498

33. Hms548n11

34. Dtxsid30957891

35. Usp Doxazosin Related Compound D

36. Hms1378e20

37. Act09619

38. Albb-004760

39. Doxazosin Related Compound D

40. Str04611

41. 1,4-benzodiozane-2-carboxylic Acid

42. Bbl001421

43. Stk183543

44. Akos000271138

45. Akos016040108

46. Ac-1644

47. Am10812

48. Ccg-202901

49. Cs-w002348

50. Pb43330

51. Sdccgmls-0065916.p001

52. Sy003328

53. 1,4-benzodioxan-2-carboxylic Acid, 97%

54. 1-(o-tolyl)piperazinedihydrochloride

55. Db-048985

56. A6320

57. B3406

58. Eu-0033210

59. Ft-0606770

60. Ft-0630207

61. Ft-0650411

62. Ft-0651340

63. Doxazosin Related Compound D [usp-rs]

64. 63b807

65. 2,3-dihydro-benzo[1,4]dioxine-2-carboxylic Acid

66. Sr-01000597134

67. 12w-0825

68. 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylicacid

69. Doxazosin Mesilate Impurity A [ep Impurity]

70. J-507002

71. Sr-01000597134-1

72. 2,3-dihydrobenzo [b][1,4]dioxine-2-carboxylic Acid

73. Q27289857

74. Z56839652

75. F0913-5472

76. Usp Doxazosin Related Compound D [usp Impurity]

77. Doxazosin Related Compound D, United States Pharmacopeia (usp) Reference Standard

78. 5-[5-(5-chloro-1h-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-1h-benzimidazole

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₈O₄
Molecular Weight	180.16 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	180.04225873 g/mol
Monoisotopic Mass	180.04225873 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	204
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