CAS 1914-65-4

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Also known as: 1914-65-4, 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, 1-naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-, 1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid, Tetralin-1-carboxylic acid, Chembl81606

Molecular Formula

C₁₁H₁₂O₂

Molecular Weight

176.21 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-tetrahydronaphthalene-1-carboxylic Acid

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

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

5. Tetralin-1-carboxylic Acid

6. Chembl81606

7. 1-tetralincarboxylic Acid

8. 1,2,3,4-tetrahydro-1-naphthalenecarboxylic Acid

9. Mfcd02179127

10. 1,2,3,4-tetrahedro-naphthoic Acid

11. Mfcd07368364

12. Mfcd07368365

13. (s)-(-)-1,2,3,4-tetrahedro-naphthoic Acid

14. Tetrahydronaphthoic Acid

15. Schembl242244

16. F2191-0014

17. Dtxsid80940758

18. 1,2,3,4-tetrahedronaphthoic Acid

19. Act02790

20. Albb-023183

21. Bcp08831

22. Bbl104211

23. Bdbm50022451

24. Stl558075

25. Akos001452907

26. Akos016842282

27. Ab11024

28. Cs-w019746

29. Fs-2878

30. Sb44573

31. Sy002157

32. Sy021995

33. Sy107224

34. Db-018709

35. (s)-1, 2, 3, 4-tetrahydronaphthoic Acid

36. Am20061133

37. Ft-0600924

38. Ft-0602580

39. Ft-0642021

40. T2903

41. En300-30407

42. 1,2,3,4-tetrahydro-1-naphthoic Acid, Aldrichcpr

43. 1,2,3,4-tetrahydro-naphthalen-1-carboxylic Acid

44. 914t654

45. A813492

46. A816684

47. Ae-842/31479032

48. J-503767

49. Z235361249

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂O₂
Molecular Weight	176.21 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	176.083729621 g/mol
Monoisotopic Mass	176.083729621 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200
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

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