CAS 196597-79-2

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1 Suppliers, 1 End Use APIs, 8 Related Intermediates

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1 End Use APIs
8 Related Intermediates

Chemistry

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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

CAS 196597-79-2

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 Formula	C₁₃H₁₁NO
Molecular Weight	197.23 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	33
Heavy Atom Count	15
Formal Charge	0
Complexity	338
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1