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2D Structure
Also known as: 221530-44-5, 1,2,6,7-tetrahydro-8h-indeno-[5,4-b]-furan-8-ylidene acetonitrile, 816-027-3, 196597-79-2, (e)-2-(6,7-dihydro-1h-indeno[5,4-b]furan-8(2h)-ylidene)acetonitrile, Acetonitrile, (1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)-, (2e)-
Molecular Formula
C13H11NO
Molecular Weight
197.23  g/mol
InChI Key
TUFWVKLKUFXARX-BJMVGYQFSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2E)-2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)acetonitrile
2.1.2 InChI
InChI=1S/C13H11NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h3-5H,1-2,6,8H2/b10-5+
2.1.3 InChI Key
TUFWVKLKUFXARX-BJMVGYQFSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 221530-44-5

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

3. 816-027-3

4. 196597-79-2

5. (e)-2-(6,7-dihydro-1h-indeno[5,4-b]furan-8(2h)-ylidene)acetonitrile

6. Acetonitrile, (1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)-, (2e)-

7. Mfcd09955086

8. (e)-2-(1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)acetonitrile

9. (1,2,6,7,-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)acetonitrile

10. (2e)-2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)acetonitrile

11. 2-(1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)acetonitrile

12. Acetonitrile, 2-(1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)-, (2e)-

13. Starbld0009326

14. Schembl339504

15. Dtxsid10474076

16. Tufwvklkufxarx-bjmvgyqfsa-n

17. Cs-m2278

18. (2e)-2-(1,2,6,7-tetrahydrocyclopenta[e]benzofuran-8-ylidene)acetonitrile

19. Akos006314749

20. Cs-14592

21. Sy257195

22. (2e)-(1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)acetonitrile

23. (e)-(1,6,7,8-tetrahydro-2h-indeno[5,4- B]furan-8-ylidene)acetonitrile

24. (e)-(1,6,7,8-tetrahydro-2h-indeno[5,4-b]-furan-8-ylidene)acetonitrile

25. (e)-(1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-ylidene)acetonitrile

26. Acetonitrile,2-(1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)-

27. 2-[(8e)-1h,2h,6h,7h,8h-indeno[5,4-b]furan-8-ylidene]acetonitrile

2.3 Create Date
2006-10-28
3 Chemical and Physical Properties
Molecular Weight 197.23 g/mol
Molecular Formula C13H11NO
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area33
Heavy Atom Count15
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1