Cas no 286-48-6 (3,5,8-Trioxabicyclo[5.1.0]octane)
![3,5,8-Trioxabicyclo[5.1.0]octane structure](https://ossimg.kuujia.com/scimg/500/286-48-6x500.png)
286-48-6 structure
Product Name:3,5,8-Trioxabicyclo[5.1.0]octane
3,5,8-Trioxabicyclo[5.1.0]octane Chemical and Physical Properties
Names and Identifiers
-
- 3,5,8-Trioxabicyclo[5.1.0]octane
- 286-48-6
- 3,5,8-trioxabicyclo[5,1,0]octane
- XYYAFYBVUUMOTF-UHFFFAOYSA-N
- SCHEMBL6177235
- 5,6-epoxy-1,3-dioxepane
- DTXSID20464625
-
- Inchi： 1S/C5H8O3/c1-4-5(8-4)2-7-3-6-1/h4-5H,1-3H2
- InChI Key： XYYAFYBVUUMOTF-UHFFFAOYSA-N
- SMILES： O1C2COCOCC12
Computed Properties
- Exact Mass: 116.04734
- Monoisotopic Mass: 116.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 83.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 31?2
Experimental Properties
- PSA: 30.99
3,5,8-Trioxabicyclo[5.1.0]octane Related Literature
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Shyeni Paul,Yunqing Zhu,Charles Romain,Rachel Brooks,Prabhjot K. Saini,Charlotte K. Williams Chem. Commun. 2015 51 6459
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Bruno Grignard,Sandro Gennen,Christine Jér?me,Arjan W. Kleij,Christophe Detrembleur Chem. Soc. Rev. 2019 48 4466
-
Bruno Grignard,Sandro Gennen,Christine Jér?me,Arjan W. Kleij,Christophe Detrembleur Chem. Soc. Rev. 2019 48 4466
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