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CAS 139122-19-3
PharmaCompass
CAS 139122-19-3
Also known as: 139122-19-3, 4-(2-hydroxyethyl)oxyindole, 1,3-dihydro-4-(2-hydroxyethyl)-2h-indole-2-one, 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one, Unii-6yte425882, 4-(2-hydroxyethyl) oxyindole
Molecular Formula
C10H11NO2
Molecular Weight
177.203  g/mol
InChI Key
QRTHVOUKWCEPKJ-UHFFFAOYSA-N
FDA UNII
6YTE425882

1 2D Structure

CAS 139122-19-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-hydroxyethyl)-1,3-dihydroindol-2-one
2.1.2 InChI
InChI=1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
2.1.3 InChI Key
QRTHVOUKWCEPKJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2=C(C=CC=C2NC1=O)CCO
2.2 Other Identifiers
2.2.1 UNII
6YTE425882
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 139122-19-3

2. 4-(2-hydroxyethyl)oxyindole

3. 1,3-dihydro-4-(2-hydroxyethyl)-2h-indole-2-one

4. 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one

5. Unii-6yte425882

6. 4-(2-hydroxyethyl) Oxyindole

7. 1,3-dihydro-4-(2-hydroxyethyl)-2h-indol-2-one

8. 4-(2-hydroxyethyl)-1,3-dihydro-2h-indolin-2-one

9. 2h-indol-2-one, 1,3-dihydro-4-(2-hydroxyethyl)-

10. Ak-77220

11. J-503904

12. Pubchem14624

13. 4-hydroxyethyl-2-oxindole

14. 4-(2-hydroxyethyl)oxindole

15. 4-(2-hydroxyethyl)-oxindole

16. Schembl154311

17. Molport-003-847-853

18. Qrthvoukwcepkj-uhfffaoysa-n

19. 4-(2-hydroxyethyl)-2-indolinone

20. Act02510

21. Ac-499

22. An-679

23. Anw-47021

24. Ch-065

25. Ch-792

26. Fch857412

27. Mfcd07782133

28. Zinc22000127

29. Akos005258766

30. 1,3-dihydro-4- -2h-indole-2-one

31. 6yte425882

32. Rl01686

33. Aj-80076

34. As-12995

35. Bc219331

36. Cc-03138

37. He038129

38. Kb-64475

39. Ax8212969

40. Db-001172

41. Rt-009118

42. St2405329

43. Ft-0647421

44. M-2668

45. 4-(2-hydroxy-ethyl)-1,3-dihydro-indol-2-one

46. 122h193

47. C-35441

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 177.203 g/mol
Molecular Formula C10H11NO2
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass177.079 g/mol
Monoisotopic Mass177.079 g/mol
Topological Polar Surface Area49.3 A^2
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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