Cas no 63838-51-7 (2-Oxabicyclo[2.2.2]oct-5-en-3-one)
![2-Oxabicyclo[2.2.2]oct-5-en-3-one structure](https://ossimg.kuujia.com/scimg/64000/63838-51-7x500.png)
63838-51-7 structure
Product Name:2-Oxabicyclo[2.2.2]oct-5-en-3-one
CAS No:63838-51-7
MF:C7H8O2
MW:124.137222290039
CID:425605
PubChem ID:12569333
Update Time:2025-04-19
2-Oxabicyclo[2.2.2]oct-5-en-3-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxabicyclo[2.2.2]oct-5-en-3-one
- 3-oxabicyclo[2.2.2]oct-5-en-2-one
- DTXSID10502888
- 63838-51-7
- SCHEMBL20975045
-
- Inchi： 1S/C7H8O2/c8-7-5-1-3-6(9-7)4-2-5/h1,3,5-6H,2,4H2
- InChI Key： OBNPFXSOHOEJOI-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC1CC2)=O
Computed Properties
- Exact Mass: 124.05244
- Monoisotopic Mass: 124.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 172
- 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: 1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Oxabicyclo[2.2.2]oct-5-en-3-one Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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