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Also known as: 57280-22-5, 4,4-dimethyl-3,5,8-trioxabic-yclo[5,1,0]octane, Mfcd16621162, 4,4-dimethyl-3,5,8-trioxabicyclo(5.1.0)octane, 4,4-dimethyl-3,5,8-trioxabicyclo-[5.1.0]-octane, Ec 421-750-9
Molecular Formula
C7H12O3
Molecular Weight
144.17  g/mol
InChI Key
GEKNCWQQNMEIMS-UHFFFAOYSA-N

CAS 57280-22-5
1 2D Structure

CAS 57280-22-5

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. 4,4-dimethyl-3,5,8-trioxabicyclo(5.1.0)octane

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

6. Ec 421-750-9

7. 4,4-dimethyl-3,5,8-trioxabicyclo[5,1,0]octane

8. Schembl1223255

9. Amy5474

10. Dtxsid10972789

11. Bcp17091

12. Cs1776

13. Akos016007973

14. Sb40516

15. Ac-26559

16. As-19260

17. Sy053244

18. Cs-0043326

19. D5200

20. 4,4-dimethyl-3,5, 8-trioxabicyclo[5.1.0]octane

21. A1-01688

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 144.17 g/mol
Molecular Formula C7H12O3
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass144.078644241 g/mol
Monoisotopic Mass144.078644241 g/mol
Topological Polar Surface Area31 Ų
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

BUILDING BLOCK

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SUPPLIERS

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01

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

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

CAS Number : 57280-22-5

End Use API :

About the Company : ​Headquartered in Fengxian District, Shanghai Minbiotech Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. Th...

Shanghai Minbiotech CB

02

Pharmex
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Pharmex
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Trioxabicyclooctane

CAS Number : 57280-22-5

End Use API :

About the Company : Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value...

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Pharmex
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4,4-Dimethyl-3,5,8-trioxabic-yclo[5,1,0]Octane

CAS Number : 57280-22-5

End Use API :

About the Company : We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-q...

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04

Pharmex
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Wavelength Pharmaceuticals

Gabon
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Pharmex
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4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane

CAS Number : 57280-22-5

End Use API :

About the Company : Alchem Phytochemicals APIs for Pharmaceuticals, Cosmetics and Nutraceuticals// FDA inspected// EU GMP certified...

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