Dalian Richon Chem

CAS 35202-54-1

Chemistry, 4 End Use API, 19 Related Intermediates

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Also known as: 35202-54-1, 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 1-cyano-4,5-dimethoxybenzocyclobutene, 4,5-dimethoxy-1-benzocyclobutenecarbonitrile, 3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-triene-7-carbonitrile, Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3,4-dimethoxy-

Molecular Formula

C₁₁H₁₁NO₂

Molecular Weight

189.21 g/mol

InChI Key

HJTHVTHXHHFXMJ-UHFFFAOYSA-N

1 2D Structure

CAS 35202-54-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

2.1.2 InChI

InChI=1S/C11H11NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3H2,1-2H3

2.1.3 InChI Key

HJTHVTHXHHFXMJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C2C(CC2=C1)C#N)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 35202-54-1

2. 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

3. 1-cyano-4,5-dimethoxybenzocyclobutene

4. 4,5-dimethoxy-1-benzocyclobutenecarbonitrile

5. 3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-triene-7-carbonitrile

6. Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3,4-dimethoxy-

7. Nsc154410

8. Mfcd01846132

9. Nsc 154410

10. Schembl333286

11. Dtxsid301020939

12. Bcp10456

13. Bbl029490

14. Stl250406

15. Akos004907934

16. Ds-1889

17. Nsc-154410

18. 4,5-dimethoxy-1-cyano-benzocyclobutane

19. Ac-22607

20. Sy053303

21. Db-069165

22. Am20090736

23. Cs-0097967

24. D4485

25. Ft-0659839

26. 202d541

27. J-514095

28. 4,5-dimethoxy-1,2-dihydrocyclobutabenzene-1-carbonitrile

29. 3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁NO₂
Molecular Weight	189.21 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	189.078978594 g/mol
Monoisotopic Mass	189.078978594 g/mol
Topological Polar Surface Area	42.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	257
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 Number

35202-54-1

End Use API

Ivabradine Hydrochloride

About the Company

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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