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CAS 88150-75-8 manufacturers and suppliers on PharmaCompass

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CAS 88150-75-8
Also known as: 88150-75-8, Ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate, Ethyl-4(2-phthalimido ethoxy)acetoacetate, Ethyl 4-(2-phthalimidoethoxy)acetoacetate, Mfcd12407176, Ethyl 4-[2-(phthalimido)ethoxy]acetoacetate
Molecular Formula
C16H17NO6
Molecular Weight
319.31  g/mol
InChI Key
RIGKLAOKQFKWNN-UHFFFAOYSA-N

1 2D Structure

CAS 88150-75-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate
2.1.2 InChI
InChI=1S/C16H17NO6/c1-2-23-14(19)9-11(18)10-22-8-7-17-15(20)12-5-3-4-6-13(12)16(17)21/h3-6H,2,7-10H2,1H3
2.1.3 InChI Key
RIGKLAOKQFKWNN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)CC(=O)COCCN1C(=O)C2=CC=CC=C2C1=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 88150-75-8

2. Ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate

3. Ethyl-4(2-phthalimido Ethoxy)acetoacetate

4. Ethyl 4-(2-phthalimidoethoxy)acetoacetate

5. Mfcd12407176

6. Ethyl 4-[2-(phthalimido)ethoxy]acetoacetate

7. Ethyl 4-(2-(phthalimido)ethoxy)acetoacetate

8. Schembl4985915

9. Dtxsid90431687

10. Rigklaokqfkwnn-uhfffaoysa-n

11. Ethyl4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate

12. Bcp33274

13. Ethyl 4-[2-(1,3-dioxo-2-isoindolinyl)ethoxy]-3-oxobutanoate

14. Akos015916097

15. Ac-5611

16. Ds-3729

17. Sb66146

18. Ethyl-4-(2-phthalimidoethoxy)acetoacetate

19. Sy271842

20. Cs-0061613

21. W17210

22. 4-(2-phthalimidylethoxy)acetoacetic Acid Ethyl Ester

23. 4-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethoxy]-3-oxo-butyric Acid Ethyl Ester

24. Ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxy]-3-oxobutanoate

25. Ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxyl]-3-oxobutanoate

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 319.31 g/mol
Molecular Formula C16H17NO6
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area90
Heavy Atom Count23
Formal Charge0
Complexity465
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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