53911-68-5

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 12 Related Intermediates

1 Suppliers
1 End Use APIs
12 Related Intermediates

Chemistry

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Also known as: 53911-68-5, 3-(4-chlorophenyl)glutaric anhydride, 4-(4-chloro-phenyl)-dihydro-pyran-2,6-dione, Beta-(4-chlorophenyl)glutaric anhydride, 4-(4-chlorophenyl)oxane-2,6-dione, 2h-pyran-2,6(3h)-dione, 4-(4-chlorophenyl)dihydro-

Molecular Formula

C₁₁H₉ClO₃

Molecular Weight

224.64 g/mol

InChI Key

OCZRLOJECISNAO-UHFFFAOYSA-N

FDA UNII

B9Y8A3C77T

1 2D Structure

53911-68-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4-chlorophenyl)oxane-2,6-dione

2.1.2 InChI

InChI=1S/C11H9ClO3/c12-9-3-1-7(2-4-9)8-5-10(13)15-11(14)6-8/h1-4,8H,5-6H2

2.1.3 InChI Key

OCZRLOJECISNAO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(CC(=O)OC1=O)C2=CC=C(C=C2)Cl

2.2 Other Identifiers

2.2.1 UNII

B9Y8A3C77T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 53911-68-5

2. 3-(4-chlorophenyl)glutaric Anhydride

3. 4-(4-chloro-phenyl)-dihydro-pyran-2,6-dione

4. Beta-(4-chlorophenyl)glutaric Anhydride

5. 4-(4-chlorophenyl)oxane-2,6-dione

6. 2h-pyran-2,6(3h)-dione, 4-(4-chlorophenyl)dihydro-

7. 4-(4-chlorophenyl)-dihydro-pyran-2,6-dione

8. B-(4-chlorophenyl) Glutaric Anhydride

9. 4-(4-chloro-phenyl)dihydropyran-2,6-dione

10. Einecs 258-858-9

11. 2h-pyran-2,6(3h)-dione,4-chlorodihydro-4-phenyl-

12. 3-(p-chlorophenyl)glutaric Anhydride

13. 4-(4-chlorophenyl)tetrahydropyran-2,6-dione

14. Schembl657724

15. B9y8a3c77t

16. Amy3879

17. Dtxsid30202191

18. Mfcd00190250

19. 3-(p-chlorophenyl)-glutaric Anhydride

20. Akos015850299

21. Fs-6377

22. Sb37573

23. Ac-19669

24. Cs-0157542

25. Ns00032871

26. D82821

27. En300-1986558

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉ClO₃
Molecular Weight	224.64 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	43.4
Heavy Atom Count	15
Formal Charge	0
Complexity	253
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