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Overview of CAS 57280-22-5

Client Email Product
4CH-021901
PharmaCompass
4CH-021901
Also known as: 57280-22-5, 4,4-dimethyl-3,5,8-trioxabic-yclo[5,1,0]octane, Mfcd16621162, Ak104874, 100572-41-6, 4,4-dimethyl-3,5,8-trioxabicyclo-[5.1.0]-octane
Molecular Formula
C7H12O3
Molecular Weight
144.17  g/mol
InChI Key
GEKNCWQQNMEIMS-UHFFFAOYSA-N

1 2D Structure

4CH-021901

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
2.1.2 InChI
InChI=1S/C7H12O3/c1-7(2)8-3-5-6(10-5)4-9-7/h5-6H,3-4H2,1-2H3
2.1.3 InChI Key
GEKNCWQQNMEIMS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(OCC2C(O2)CO1)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 57280-22-5

2. 4,4-dimethyl-3,5,8-trioxabic-yclo[5,1,0]octane

3. Mfcd16621162

4. Ak104874

5. 100572-41-6

6. 4,4-dimethyl-3,5,8-trioxabicyclo-[5.1.0]-octane

7. A1-01688

8. 4,4-dimethyl-3,5,8-trioxa-bicyclo[5.1.0]octane

9. Acmc-20m3nj

10. 3,5,8-trioxabicyclo[5.1.0]octane, 4,4-dimethyl-, Cis-

11. Schembl1223255

12. Ctk8c3989

13. Gekncwqqnmeims-uhfffaoysa-n

14. Molport-023-299-397

15. Ks-00000qp0

16. Anw-70911

17. Akos016007973

18. Acn-034340

19. Cm11116

20. Fch1162034

21. Ac-26559

22. As-19260

23. Or302184

24. Ax8239082

25. Kb-239384

26. Tc-159656

27. 4ch-021901

28. D5200

29. St24042559

30. X6077

31. 4,4-dimethyl-3,5,8-trioxabicyclo[5,1,0]octane

32. 4,4-dimethyl-3,5, 8-trioxabicyclo[5.1.0]octane

33. 3,5,8-trioxabicyclo[5.1.0]octane, 4,4-dimethyl-

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 144.17 g/mol
Molecular Formula C7H12O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass144.079 g/mol
Monoisotopic Mass144.079 g/mol
Topological Polar Surface Area31 A^2
Heavy Atom Count10
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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