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Also known as: 79815-20-6, (s)-indoline-2-carboxylic acid, (2s)-2,3-dihydro-1h-indole-2-carboxylic acid, H-idc-oh, (s)-2,3-dihydro-1h-indole-2-carboxylic acid, L-indoline-2-carboxylic acid
Molecular Formula
C9H9NO2
Molecular Weight
163.17  g/mol
InChI Key
QNRXNRGSOJZINA-QMMMGPOBSA-N
FDA UNII
57XK524B7M

CAS 79815-20-6
1 2D Structure

CAS 79815-20-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2,3-dihydro-1H-indole-2-carboxylic acid
2.1.2 InChI
InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1
2.1.3 InChI Key
QNRXNRGSOJZINA-QMMMGPOBSA-N
2.1.4 Canonical SMILES
C1C(NC2=CC=CC=C21)C(=O)O
2.1.5 Isomeric SMILES
C1[C@H](NC2=CC=CC=C21)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
57XK524B7M
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 79815-20-6

2. (s)-indoline-2-carboxylic Acid

3. (2s)-2,3-dihydro-1h-indole-2-carboxylic Acid

4. H-idc-oh

5. (s)-2,3-dihydro-1h-indole-2-carboxylic Acid

6. L-indoline-2-carboxylic Acid

7. S-(-)-indoline-2-carboxylic Acid

8. (s)-(-)-indoline-2-carboxylicacid

9. 1h-indole-2-carboxylic Acid, 2,3-dihydro-, (2s)-

10. 57xk524b7m

11. Indoline-2-carboxylic Acid, (s)-

12. L-(-)-indoline-2-carboxylic Acid

13. 799815-20-6

14. Mfcd00070578

15. (s)-(-)-indolin-2-carboxylic Acid

16. S-dic

17. Cds1_000178

18. (s)-2-carboxyindoline

19. Maybridge1_002466

20. Ec 410-860-2

21. 2-indolinecarboxylic Acid #

22. 2(s)-indolinecarboxylic Acid

23. S-indoline-2-carboxylic Acid

24. Mls000849837

25. Divk1c_001218

26. Schembl926388

27. Unii-57xk524b7m

28. (s)-indole-2-carboxylic Acid

29. Indoline-2(s)-carboxylic Acid

30. Chembl1423103

31. (-)-indoline-2-carboxylic Acid

32. Hms548i02

33. (s)-1h-indole-2-carboxylic Acid

34. Dtxsid101036449

35. Hms2789h07

36. Zinc133574

37. S-(-)-indolium-2-carboxylic Acid

38. Cs-m1849

39. (s)-(-)-indoline-2carboxylic Acid

40. Ccg-47414

41. (2s)-indoline-2alpha-carboxylic Acid

42. Akos005257756

43. Akos010367743

44. Ac-3075

45. Fs-2244

46. Indolinecarboxylic((s)-(-)-2-) Acid

47. (2s)-(-)-indoline-2-carboxylic Acid

48. Ncgc00246667-01

49. S-(-)indoline-2-carboxylic Acid

50. Smr000455855

51. (2s)-2,3-dihydroindole-2-carboxylic Acid

52. Am20060465

53. I0395

54. (s)-(-)-indoline-2-carboxylic Acid, 99%

55. En300-59226

56. 15i206

57. I-5091

58. 2,3-dihydro-(2s)-1h-indole-2-carboxylic Acid

59. (-)-2,3-dihydroindole-2-carboxylic Acid

60. A839763

61. Sr-01000637030-1

62. (s)-(+)-2,3-dihydro-1h-indole-2-carboxylic Acid

63. Z1698565929

64. (2s)-indoline-2-carboxylic Acid;(s)-indoline-2-carboxylic Acid

65. (s)-(-)-indoline-2-carboxylic Acid 100 Microg/ml In Acetonitrile

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 163.17 g/mol
Molecular Formula C9H9NO2
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass163.063328530 g/mol
Monoisotopic Mass163.063328530 g/mol
Topological Polar Surface Area49.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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