CAS 21962-45-8

Chemistry, 1 End Use API, 4 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 21962-45-8, 4-cyano-2-methoxybenzaldehyde, 2-methoxy-4-cyanobenzaldehyde, 4-cyaon-2-methoxybenzaldehyde, 4-formyl-3-methoxy-benzonitrile, Mfcd07779491

Molecular Formula

C₉H₇NO₂

Molecular Weight

161.16 g/mol

InChI Key

ZXENVSJZOHXCKL-UHFFFAOYSA-N

1 2D Structure

CAS 21962-45-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-formyl-3-methoxybenzonitrile

2.1.2 InChI

InChI=1S/C9H7NO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,1H3

2.1.3 InChI Key

ZXENVSJZOHXCKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=CC(=C1)C#N)C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 21962-45-8

2. 4-cyano-2-methoxybenzaldehyde

3. 2-methoxy-4-cyanobenzaldehyde

4. 4-cyaon-2-methoxybenzaldehyde

5. 4-formyl-3-methoxy-benzonitrile

6. Mfcd07779491

7. Schembl1398327

8. Dtxsid20586553

9. Cl8346

10. Akos006228725

11. Cs-w018926

12. As-18816

13. Sy038704

14. 4-cyano-2-methoxybenzaldehyde, Aldrichcpr

15. Db-045735

16. A4705

17. Am20030364

18. Ns00005013

19. Ec 804-777-4

20. En300-6414075

21. Z1198174338

2.3 Create Date

2007-08-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₇NO₂
Molecular Weight	161.16 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	50.1
Heavy Atom Count	12
Formal Charge	0
Complexity	206
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

21962-45-8

Intermediate Name

4-formyl-3 methoxybenzonitrile

About the Company

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.