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Also known as: 82923-75-9, 1-acetylindoline-2-carboxylic acid, 1-acetyl-2,3-dihydroindole-2-carboxylic acid, 1-acetyl-2,3-dihydro-1h-indole-2-carboxylic acid, 1h-indole-2-carboxylicacid, 1-acetyl-2,3-dihydro-, Schembl2824813
Molecular Formula
C11H11NO3
Molecular Weight
205.21  g/mol
InChI Key
OGMIMMRKTFZDKW-UHFFFAOYSA-N

CAS 82923-75-9
1 2D Structure

CAS 82923-75-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-acetyl-2,3-dihydroindole-2-carboxylic acid
2.1.2 InChI
InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
2.1.3 InChI Key
OGMIMMRKTFZDKW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)N1C(CC2=CC=CC=C21)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 82923-75-9

2. 1-acetylindoline-2-carboxylic Acid

3. 1-acetyl-2,3-dihydroindole-2-carboxylic Acid

4. 1-acetyl-2,3-dihydro-1h-indole-2-carboxylic Acid

5. 1h-indole-2-carboxylicacid, 1-acetyl-2,3-dihydro-

6. Schembl2824813

7. 1-acetylindoline-2-carboxylicacid

8. Dtxsid901335392

9. 1-acetyl-2-indolinecarboxylic Acid

10. N-acetyl Indoline-2-carboxylic Acid

11. N-acetyl-indoline-2-carboxylic Acid

12. Mfcd02258918

13. Akos000247158

14. Akos017342878

15. Ab16686

16. Ab21000

17. Sb64238

18. Ac-10188

19. Cs-0005950

20. Ft-0690340

21. Ft-0719885

22. A-1415

23. D72449

24. J-002460

25. F2147-1122

26. (2r)-1-acetyl-2,3-dihydro-1h-indole-2-carboxylicacid

27. 1-acetyl-2,3-dihydro-1h-indole-2-carboxylic Acid Methyl Ester

28. Methyl6-methoxy-1,2,3,4-tetrahydro-quinoline-2-carboxylate

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 205.21 g/mol
Molecular Formula C11H11NO3
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area57.6
Heavy Atom Count15
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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