N-(1,3-Dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide

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7 End Use APIs
21 Related Intermediates

Chemistry

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Also known as: 6296-53-3, N-(1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide, 3-acetylaminophthalic anhydride, 1,3-dioxo-2-isoindolineaceticacid, N-(1,3-dioxo-2-benzofuran-4-yl)acetamide, Acetamide, n-(1,3-dihydro-1,3-dioxo-4-isobenzofuranyl)-

Molecular Formula

C₁₀H₇NO₄

Molecular Weight

205.17 g/mol

InChI Key

PAUAJOABXCGLCN-UHFFFAOYSA-N

1 2D Structure

CAS 6296-53-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(1,3-dioxo-2-benzofuran-4-yl)acetamide

2.1.2 InChI

InChI=1S/C10H7NO4/c1-5(12)11-7-4-2-3-6-8(7)10(14)15-9(6)13/h2-4H,1H3,(H,11,12)

2.1.3 InChI Key

PAUAJOABXCGLCN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=CC=CC2=C1C(=O)OC2=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6296-53-3

2. N-(1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide

3. 3-acetylaminophthalic Anhydride

4. 1,3-dioxo-2-isoindolineaceticacid

5. N-(1,3-dioxo-2-benzofuran-4-yl)acetamide

6. Acetamide, N-(1,3-dihydro-1,3-dioxo-4-isobenzofuranyl)-

7. Mfcd00453138

8. N-(1,3-dihydro-1,3-dioxoisobenzofuran-4-yl)acetamide

9. N-(1,3-dioxo-4-isobenzofuranyl)acetamide

10. 4-acetamido-1,3-isobenzofurandione

11. Nsc16261

12. Acetamide,n-(1,3-dihydro-1,3-dioxo-4-isobenzofuranyl)

13. N-(1,3-dioxo-1,3-dihydro-2-benzofuran-4-yl)acetamide

14. 3-acetamidopthalic Anhydride

15. Schembl303302

16. 3-acetamido-phthalic Anhydride

17. 3-acetylaminophthalsaureanhydrid

18. N-(1,3-dioxo-1,3-dihydro-isobenzofuran-4-yl)acetamide

19. Amy4064

20. Dtxsid00978816

21. Bcp09393

22. Cs-m2812

23. Nsc17048

24. Nsc-16261

25. Nsc-17048

26. Zinc97957375

27. Akos002687661

28. Ds-7780

29. Ac-30405

30. Sy046903

31. Db-024694

32. Ft-0767491

33. A854757

34. N-(1,3-dihydro-1,3-dioxo-4-isobenzofuranyl)acetamide

35. N-(1,3-dioxo-1,3-dihydroisobenzo[b]furan-4-yl)acetamide

36. N-(1,3-dioxo-1,3-dihydro-2-benzofuran-4-yl)ethanimidic Acid

37. Not Available;n-(1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₇NO₄
Molecular Weight	205.17 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	205.03750770 g/mol
Monoisotopic Mass	205.03750770 g/mol
Topological Polar Surface Area	72.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	325
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