CAS 79815-20-6

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2 End Use APIs
18 Related Intermediates

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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

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 Formula	C₉H₉NO₂
Molecular Weight	163.17 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	163.063328530 g/mol
Monoisotopic Mass	163.063328530 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1