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53911-68-5 manufacturers and suppliers on PharmaCompass

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53911-68-5
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 Weight 224.64 g/mol
Molecular Formula C11H9ClO3
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area43.4
Heavy Atom Count15
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
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