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Also known as: 196597-78-1, 1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one, 6,7-dihydro-1h-indeno[5,4-b]furan-8(2h)-one, 8h-indeno[5,4-b]furan-8-one, 1,2,6,7-tetrahydro-, A9j5cbd2kt, Mfcd09955085
Molecular Formula
C11H10O2
Molecular Weight
174.20  g/mol
InChI Key
ZZUIZMWFNOKNLN-UHFFFAOYSA-N
FDA UNII
A9J5CBD2KT

CAS 196597-78-1
1 2D Structure

CAS 196597-78-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one
2.1.2 InChI
InChI=1S/C11H10O2/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h2,4H,1,3,5-6H2
2.1.3 InChI Key
ZZUIZMWFNOKNLN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(=O)C2=C1C=CC3=C2CCO3
2.2 Other Identifiers
2.2.1 UNII
A9J5CBD2KT
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 196597-78-1

2. 1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one

3. 6,7-dihydro-1h-indeno[5,4-b]furan-8(2h)-one

4. 8h-indeno[5,4-b]furan-8-one, 1,2,6,7-tetrahydro-

5. A9j5cbd2kt

6. Mfcd09955085

7. 1,2,6,7-tetrahydroindeno[5,4-b]furan-8-one

8. 1h,2h,6h,7h,8h-indeno[5,4-b]furan-8-one

9. 1,2,6,7-tetrahydro-8h-indeno(5,4-b)furan-8-one

10. 1,2,6,7-tetrahydro-8h-indeno[5,4-b]-furan-8-one

11. 8h-indeno(5,4-b)furan-8-one, 1,2,6,7-tetrahydro-

12. Ramelteon Impurity 5

13. Unii-a9j5cbd2kt

14. Schembl338965

15. 8h-indeno[5,4-b]furan-8-one,1,2,6,7-tetrahydro-

16. Dtxsid60456529

17. Bcp11938

18. Cs-b0343

19. Zinc22005756

20. Akos005073523

21. Md-0210

22. Am803455

23. Sy029883

24. D5069

25. Ft-0650735

26. 597t781

27. Q-102791

28. Butanedioicacid,2-hydroxy-3-methyl-,diethylester

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 174.20 g/mol
Molecular Formula C11H10O2
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass174.068079557 g/mol
Monoisotopic Mass174.068079557 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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