CAS 60658-04-0

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Also known as: 60658-04-0, Ketoprofen ethyl ester, Dtxsid00432246, Ec 414-920-9, Refchem:593790, Dtxcid30383075

Molecular Formula

C₁₈H₁₈O₃

Molecular Weight

282.3 g/mol

InChI Key

CQSMNXCTDMLMLM-UHFFFAOYSA-N

FDA UNII

TUT7CG65PF

1 2D Structure

CAS 60658-04-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-(3-benzoylphenyl)propanoate

2.1.2 InChI

InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3

2.1.3 InChI Key

CQSMNXCTDMLMLM-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

TUT7CG65PF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 60658-04-0

2. Ketoprofen Ethyl Ester

3. Dtxsid00432246

4. Ec 414-920-9

5. Refchem:593790

6. Dtxcid30383075

7. 414-920-9

8. Benzeneacetic Acid, 3-benzoyl-a-methyl-, Ethyl Ester

9. Mfcd25292983

10. Ethyl 2-(3-benzoylphenyl)propionate (ketoprofen Ethyl Ester)

11. Ethyl 2-(3-benzoylphenyl)propionate; Ketoprofen Ethyl Ester

12. Ethyl 2-(3-benzoylphenyl)propionate

13. Tut7cg65pf

14. Schembl9555892

15. Chembl4168332

16. Cqsmnxctdmlmlm-uhfffaoysa-n

17. Ethyl2-(3-benzoylphenyl)propanoate

18. Fk24803

19. Bs-45472

20. Sy402384

21. Ns00077690

22. Ethyl 2-[3-(phenylcarbonyl)phenyl]propanoate

23. F72589

24. F867717

25. Benzeneacetic Acid, 3-benzoyl-alpha-methyl-, Ethyl Ester

26. 3-benzoyl-a-methylbenzeneacetic Acid Ethyl Ester;ethyl 2-(3-benzoylphenyl)propionate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₈O₃
Molecular Weight	282.3 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	43.4
Heavy Atom Count	21
Formal Charge	0
Complexity	357
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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