CAS 2380-94-1

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

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Also known as: 2380-94-1, 1h-indol-4-ol, Indol-4-ol, 4-indolol, 4-hydroxy-1h-indole, 1h-indole-4-ol

Molecular Formula

C₈H₇NO

Molecular Weight

133.15 g/mol

InChI Key

NLMQHXUGJIAKTH-UHFFFAOYSA-N

FDA UNII

1W4VD9085V

1 2D Structure

CAS 2380-94-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-indol-4-ol

2.1.2 InChI

InChI=1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H

2.1.3 InChI Key

NLMQHXUGJIAKTH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=CN2)C(=C1)O

2.2 Other Identifiers

2.2.1 UNII

1W4VD9085V

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2380-94-1

2. 1h-indol-4-ol

3. Indol-4-ol

4. 4-indolol

5. 4-hydroxy-1h-indole

6. 1h-indole-4-ol

7. Mfcd00005667

8. Chebi:24702

9. 1w4vd9085v

10. 4-hydroxy-indole

11. 4- Hydroxycarbazole

12. Hydroxyindoles

13. Unii-1w4vd9085v

14. 4-hydroxy Indole

15. Einecs 219-177-2

16. 4-hydroxyindole, 18

17. 4-hydroxyindole, 99%

18. Dsstox_cid_31485

19. Dsstox_rid_97370

20. Dsstox_gsid_57696

21. Schembl26495

22. Chembl446571

23. 4-hydroxyindole [inci]

24. Dtxsid3057696

25. Bdbm21978

26. 4-hydroxyindole [usp-rs]

27. Act02464

28. Bcp27043

29. Cs-d1727

30. Zinc6524907

31. Tox21_113766

32. Bbl011019

33. Stk802156

34. Akos005257716

35. Ab00472

36. Ac-5462

37. Ccg-214548

38. Ps-3280

39. Sdccgmls-0065859.p001

40. Ncgc00253639-01

41. Hy-34596

42. Pindolol Impurity E [ep Impurity]

43. Sy001960

44. Cas-2380-94-1

45. Db-012169

46. A4968

47. Am20060360

48. Ft-0618757

49. H0582

50. En300-91732

51. 80h941

52. C02040

53. H-6000

54. H-6010

55. Sr-01000944737

56. Sr-01000944737-1

57. Brd-k98735139-001-01-1

58. Q27103089

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₇NO
Molecular Weight	133.15 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	133.052763847 g/mol
Monoisotopic Mass	133.052763847 g/mol
Topological Polar Surface Area	36 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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

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