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 Formula	C₁₁H₁₁NO₃
Molecular Weight	205.21 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	57.6
Heavy Atom Count	15
Formal Charge	0
Complexity	290
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS 82923-75-9

Chemistry

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