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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

CAS 21962-45-8
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 Weight 161.16 g/mol
Molecular Formula C9H7NO2
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area50.1
Heavy Atom Count12
Formal Charge0
Complexity206
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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SUPPLIERS

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01

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothChina's leading API and intermediate manufacturer, offering CMO/CDMO services and exports to 70+ countries, enhancing global health.

4-formyl-3-methoxybenzonitrile

CAS Number : 21962-45-8

End Use API :

About the Company : 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 wor...

Shandong Chenghui Shuangda Pharmaceutical

02

Peptide Process CMC
Not Confirmed
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Peptide Process CMC
Not Confirmed

4-CYANO-2-METHOXYBENZALDEHYDE

CAS Number : 21962-45-8

End Use API :

About the Company : Founded with a mission to transform strategic capital into specialty chemicals, Ami Group focuses on Agrochemicals, Cosmetics, and Polymers. Ami Organics Ltd. is committed to meeting yo...

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END USE APIs

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