Cas no 55387-86-5 (2,6-Dioxabicyclo[2.2.1]heptane(9CI))
55387-86-5 structure
Product Name:2,6-Dioxabicyclo[2.2.1]heptane(9CI)
2,6-Dioxabicyclo[2.2.1]heptane(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Dioxabicyclo[2.2.1]heptane(9CI)
- 3,5-dioxabicyclo[2.2.1]heptane
- AC1L8RU0
- CTK1H4594
- NSC295374
- NSC-295374
- 2,6-Dioxabicyclo[2.2.1]heptane
- SCHEMBL17502993
- 55387-86-5
- 2,6-Dioxabicyclo(2.2.1)heptane
- DTXSID50330682
- NSC 295374
-
- Inchi: 1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2
- InChI Key: ZDZNVLCENAFWPD-UHFFFAOYSA-N
- SMILES: O1CC2COC1C2
Computed Properties
- Exact Mass: 100.05244
- Monoisotopic Mass: 100.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 74.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
- LogP: 0.37920
2,6-Dioxabicyclo[2.2.1]heptane(9CI) Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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