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CAS 1914-65-4
PharmaCompass
  • Chemistry
CAS 1914-65-4
Also known as: 1914-65-4, 1,2,3,4-tetrahydro-1-naphthoic acid, 1-naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-, Tetralin-1-carboxylic acid, 1,2,3,4-tetrahedro-naphthoic acid, 1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid
Molecular Formula
C11H12O2
Molecular Weight
176.215  g/mol
InChI Key
VDLWTJCSPSUGOA-UHFFFAOYSA-N

1 2D Structure

CAS 1914-65-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
2.1.2 InChI
InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)
2.1.3 InChI Key
VDLWTJCSPSUGOA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(C2=CC=CC=C2C1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1914-65-4

2. 1,2,3,4-tetrahydro-1-naphthoic Acid

3. 1-naphthalenecarboxylic Acid, 1,2,3,4-tetrahydro-

4. Tetralin-1-carboxylic Acid

5. 1,2,3,4-tetrahedro-naphthoic Acid

6. 1,2,3,4-tetrahydro-naphthalene-1-carboxylic Acid

7. Chembl81606

8. 1-tetralincarboxylic Acid

9. 1,2,3,4-tetrahydro-1-naphthalenecarboxylic Acid

10. Sbb065730

11. F2191-0014

12. 1,2,3,4-tetrahydronaphthalenecarboxylic Acid

13. Tetrahydronaphthoic Acid

14. Acmc-209ev1

15. Ac1q74fo

16. Schembl242244

17. Jsp003930

18. Ctk0h4340

19. Ebd6187

20. Molport-001-572-843

21. Vdlwtjcspsugoa-uhfffaoysa-n

22. 1,2,3,4-tetrahedronaphthoic Acid

23. Act02790

24. Albb-023183

25. Anw-23531

26. Bdbm50022451

27. Ct-369

28. Mfcd02179127

29. Akos001452907

30. Akos016842282

31. Ab11024

32. An-7610

33. Cs-w019746

34. Fs-2878

35. Mcule-4769799002

36. Rp23789

37. Vc30071

38. Vc30281

39. Ak-27345

40. An-50094

41. Bc226562

42. Br-27345

43. K845

44. Kb-09917

45. Sc-02697

46. Sc-13448

47. Sy021995

48. 1,2,3,4-tetrahydro-naphthoic Acid

49. Ab0014410

50. Ab1004822

51. Db-018709

52. St2414725

53. Tr-008883

54. Tx-015810

55. 4ch-004281

56. 4ch-021521

57. Am20061133

58. Bg01504424

59. Ft-0602580

60. St45016683

61. En300-30407

62. M-2682

63. 1,2,3,4-tetrahydro-1-naphthoic Acid, Aldrichcpr

64. 1,2,3,4-tetrahydro-naphthalen-1-carboxylic Acid

65. 1-naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-

66. 914t654

67. A813492

68. A816684

69. Ae-842/31479032

70. I04-0045

71. I04-0111

72. I04-0168

73. J-503767

74. Z235361249

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 176.215 g/mol
Molecular Formula C11H12O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.084 g/mol
Monoisotopic Mass176.084 g/mol
Topological Polar Surface Area37.3 A^2
Heavy Atom Count13
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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