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CAS 196597-78-1 manufacturers and suppliers on PharmaCompass

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1,2,6,7-Tetrahydro-8H-indeno(5,4-b)furan-8-one
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

1 2D Structure

1,2,6,7-Tetrahydro-8H-indeno(5,4-b)furan-8-one

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
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