CAS 505-48-6

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Chemistry

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Also known as: Octanedioic acid, 505-48-6, 1,8-octanedioic acid, Cork acid, 1,6-hexanedicarboxylic acid, Hexamethylenedicarboxylic acid

Molecular Formula

C₈H₁₄O₄

Molecular Weight

174.19 g/mol

InChI Key

TYFQFVWCELRYAO-UHFFFAOYSA-N

FDA UNII

6U7Y4M9C1H

Suberic acid is a metabolite found in the aging mouse brain.

1 2D Structure

CAS 505-48-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

octanedioic acid

2.1.2 InChI

InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

2.1.3 InChI Key

TYFQFVWCELRYAO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCCC(=O)O)CCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

6U7Y4M9C1H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Suberic Acid, Cadmium (1:1) Salt

2. Suberic Acid, Dipotassium Salt

3. Suberic Acid, Disodium Salt

4. Suberic Acid, Manganese (+2) (1:1) Salt

5. Suberic Acid, Monosodium Salt

2.3.2 Depositor-Supplied Synonyms

1. Octanedioic Acid

2. 505-48-6

3. 1,8-octanedioic Acid

4. Cork Acid

5. 1,6-hexanedicarboxylic Acid

6. Hexamethylenedicarboxylic Acid

7. Octane-1,8-dioic Acid

8. 1,6-dicarboxyhexane

9. Carboxylic Acids, Di-, C4-11

10. Nsc25952

11. Mfcd00004428

12. 6u7y4m9c1h

13. Chebi:9300

14. Nsc-25952

15. 68937-72-4

16. Unii-6u7y4m9c1h

17. Korksaeure

18. Oktandisaeure

19. Suberinsaeure

20. Korksaure

21. Kork Acid

22. C8h14o4

23. 1,8-octanedioate

24. Einecs 208-010-9

25. Einecs 273-084-1

26. Nsc 25952

27. Octane-1,8-dioate

28. Suberic Acid, 98%

29. Octane-1,8-dioic Aid

30. 1,6-hexanedicarboxylate

31. Hexamethylenedicarboxylate

32. Ai3-52672

33. Dsstox_cid_1644

34. Bmse000378

35. Suberic Acid [mi]

36. Schembl3301

37. Dsstox_rid_76258

38. Dsstox_gsid_21644

39. Octanedioic Acid Suberic Acid

40. Bidd:er0503

41. Chembl1162491

42. Dtxsid8021644

43. Nsc53777

44. Str03966

45. Zinc1531046

46. Tox21_200531

47. Ac7522

48. Bbl009289

49. Lmfa01170001

50. Nsc-53777

51. S6220

52. Stk801855

53. Akos000119018

54. Cs-w016016

55. Hy-w015300

56. Suberic Acid, Purum, >=98.0% (t)

57. Ncgc00164012-01

58. Ncgc00164012-02

59. Ncgc00164012-03

60. Ncgc00258085-01

61. Bp-27862

62. Cas-505-48-6

63. Sy004501

64. Db-071218

65. Am20100233

66. Ft-0655538

67. O0023

68. C08278

69. C8-120

70. C8-140

71. C8-180

72. C8-220

73. C8-260

74. C8-298

75. S-9000

76. Ab00376809-03

77. Q899074

78. 932d754a-ee85-46c7-a95b-a93a3dc1ec61

79. F1905-7049

80. Z1270446352

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₄O₄
Molecular Weight	174.19 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	174.08920892 g/mol
Monoisotopic Mass	174.08920892 g/mol
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	135
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