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Also known as: 82104-74-3, 1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile, 1-oxo-3h-2-benzofuran-5-carbonitrile, 5-cyano phthalide, 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile, 5-isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-
Molecular Formula
C9H5NO2
Molecular Weight
159.14  g/mol
InChI Key
XEEGWTLAFIZLSF-UHFFFAOYSA-N

CAS 82104-74-3
1 2D Structure

CAS 82104-74-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-oxo-3H-2-benzofuran-5-carbonitrile
2.1.2 InChI
InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2
2.1.3 InChI Key
XEEGWTLAFIZLSF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2=C(C=CC(=C2)C#N)C(=O)O1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 82104-74-3

2. 1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile

3. 1-oxo-3h-2-benzofuran-5-carbonitrile

4. 5-cyano Phthalide

5. 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile

6. 5-isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-

7. Mfcd01072882

8. 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile

9. 5-cyanophthalid

10. Einecs 279-900-2

11. 5-cyanophthalide, 97%

12. Ec 279-900-2

13. Schembl1641

14. Dtxsid40868641

15. Zinc337934

16. Amy40169

17. Bcp13095

18. Ac9502

19. Akos015836116

20. Ac-5340

21. Cs-w016184

22. As-11983

23. Bp-12876

24. Sy051382

25. Db-056572

26. Diethyl 1-butylpyrrolidine-2,5-dicarboxylate

27. Ft-0620351

28. 104c743

29. A840246

30. Ar-011/40257489

31. W-104188

2.3 Create Date
2005-07-09
3 Chemical and Physical Properties
Molecular Weight 159.14 g/mol
Molecular Formula C9H5NO2
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass159.032028402 g/mol
Monoisotopic Mass159.032028402 g/mol
Topological Polar Surface Area50.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity253
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

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Virtual BoothZeon Pharma is a manufacturer and supplier of APIs & Intermediates.

5-cyano phthalide

CAS Number : 82104-74-3

End Use API :

About the Company : Zeon Pharma Industries India Pvt ltd is an ISO & GMP certified manufacturer of Bulk drugs & Intermediate and also supplies our associate manufacturing plant API / Semi finish formulati...

Zeon Pharma Industries India Pvt Ltd

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Amara Labs

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5-CYANOPHTHALIDE

CAS Number : 82104-74-3

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About the Company : Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Myl...

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5-Cyanophthalide

CAS Number : 82104-74-3

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About the Company : Kopalle Pharma is a trusted manufacturer of Active Pharma Ingredients (API’s) & Intermediates. Kopalle Pharma Chemicals Pvt Ltd is an ISO 9001:2015 Certified Company and has a GMP Cer...

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5-Cyanophthalide

CAS Number : 82104-74-3

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About the Company : LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development T...

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05

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5-Cyanophthalimide

CAS Number : 82104-74-3

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About the Company : We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds,...

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06

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5-Cyano Phthalide

CAS Number : 82104-74-3

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About the Company : Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spe...

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