Cas no 277-06-5 (3,8-Dioxatricyclo[5.1.0.02,4]octane(8CI,9CI))
![3,8-Dioxatricyclo[5.1.0.02,4]octane(8CI,9CI) structure](https://ossimg.kuujia.com/scimg/500/277-06-5x500.png)
277-06-5 structure
Product Name:3,8-Dioxatricyclo[5.1.0.02,4]octane(8CI,9CI)
3,8-Dioxatricyclo[5.1.0.02,4]octane(8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,8-Dioxatricyclo[5.1.0.02,4]octane(8CI,9CI)
- 1,2:3,4-Diepoxycyclohexane
- UNII-AOF31T5W1C
- SCHEMBL4564219
- 3,8-Dioxatricyclo[5.1.0.0~2,4~]octane
- AOF31T5W1C
- 277-06-5
- Cyclohexa-1,3-diene dioxide
- DTXSID20950371
- cyclohexadiene dioxide
-
- Inchi： 1S/C6H8O2/c1-2-4-6(8-4)5-3(1)7-5/h3-6H,1-2H2
- InChI Key： APXNRLPBXNJAGG-UHFFFAOYSA-N
- SMILES： O1C2CCC3C(C12)O3
Computed Properties
- Exact Mass: 112.05244
- Monoisotopic Mass: 112.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 119
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 25.1?2
Experimental Properties
- Density: 1.0494 (rough estimate)
- Boiling Point: 147.55°C (rough estimate)
- Refractive Index: 1.4792 (estimate)
- PSA: 25.06
3,8-Dioxatricyclo[5.1.0.02,4]octane(8CI,9CI) Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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