CAS 708-06-5

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Also known as: 708-06-5, 2-hydroxynaphthalene-1-carbaldehyde, 1-formyl-2-naphthol, 1-naphthalenecarboxaldehyde, 2-hydroxy-, 2-hydroxynaphthaldehyde, 2-hydroxy-1-naphthylaldehyde

Molecular Formula

C₁₁H₈O₂

Molecular Weight

172.18 g/mol

InChI Key

NTCCNERMXRIPTR-UHFFFAOYSA-N

FDA UNII

PP9CFN7QNL

1 2D Structure

CAS 708-06-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxynaphthalene-1-carbaldehyde

2.1.2 InChI

InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H

2.1.3 InChI Key

NTCCNERMXRIPTR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C=CC(=C2C=O)O

2.2 Other Identifiers

2.2.1 UNII

PP9CFN7QNL

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 708-06-5

2. 2-hydroxynaphthalene-1-carbaldehyde

3. 1-formyl-2-naphthol

4. 1-naphthalenecarboxaldehyde, 2-hydroxy-

5. 2-hydroxynaphthaldehyde

6. 2-hydroxy-1-naphthylaldehyde

7. 2-hydroxy-1-napthaldehyde

8. 2-naphthol 1-carboxaldehyde

9. 2-hydroxy-1-naphthalaldehyde

10. 2-hydroxy-1-naphthalenecarboxaldehyde

11. 1-hydroxy-2-naphthalenecarboxaldehyde

12. Beta-hydroxynaphthaldehyde

13. 1-naphthaldehyde, 2-hydroxy-

14. Nsc 2104

15. 2-hydroxy-naphthalene-1-carbaldehyde

16. Pp9cfn7qnl

17. Mfcd00004005

18. Chembl3265255

19. 2-hydroxy-.alpha.-naphthaldehyde

20. Nsc-2104

21. .beta.-hydroxy-.alpha.-naphthaldehyde

22. Nsc-402586

23. Einecs 211-902-0

24. Brn 0742777

25. Ai3-24517

26. 2-hydroxynaphthalene-1-carboxaldehyde

27. 2-naphthol-1-aldehyde

28. Unii-pp9cfn7qnl

29. 2-hydroxy-naphthaldehyde

30. 1-formylnaphthalen-2-ol

31. Probes2_000080

32. Ec 211-902-0

33. .beta.-hydroxynaphthaldehyde

34. 2-hydroxy-1-naphthoaldehyde

35. 4-08-00-01160 (beilstein Handbook Reference)

36. Schembl304032

37. 1-formyl-2-hydroxy-naphthalene

38. 2-hydroxy-1-naphthalenealdehyde

39. 2-hydroxynaphthalene-1-aldehyde

40. 8-naphthol-1-carbonyl Chloride

41. 2-hydroxy-1-naphthalenemethanol

42. Dtxsid9061041

43. Beta-hydroxy-alpha-naphthaldehyde

44. Nsc2104

45. Chebi:137369

46. Zinc157162

47. Amy40301

48. 2-hydroxy-naphthalene 1-carbaldehyde

49. Bdbm50013794

50. Nc-014

51. Stk189371

52. 1-naphthalenecarboxaldehyde, 2-hydroxy

53. Akos000118889

54. Ac-5786

55. Cs-w017605

56. 101482-89-7

57. As-14481

58. Db-055453

59. 2-hydroxy-1-naphthaldehyde, Technical Grade

60. Bb 0243290

61. Ft-0612522

62. H0275

63. (z)-1-(hydroxymethylene)naphthalen-2(1h)-one

64. A18872

65. A23776

66. D77812

67. Ah-034/32464020

68. Q-200286

69. Q63398130

70. F0020-1892

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₈O₂
Molecular Weight	172.18 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	172.052429494 g/mol
Monoisotopic Mass	172.052429494 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191
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