Cas no 4744-84-7 (2-Oxaspiro[4.7]dodecane-1,3-dione)
![2-Oxaspiro[4.7]dodecane-1,3-dione structure](https://ossimg.kuujia.com/scimg/5000/4744-84-7x500.png)
4744-84-7 structure
Product Name:2-Oxaspiro[4.7]dodecane-1,3-dione
CAS No:4744-84-7
MF:C11H16O3
MW:196.242943763733
CID:334483
PubChem ID:10535879
Update Time:2025-04-19
2-Oxaspiro[4.7]dodecane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxaspiro[4.7]dodecane-1,3-dione
- Cyclooctaneaceticacid, 1-carboxy-, cyclic anhydride (6CI,8CI)
- DTXSID20441390
- 4744-84-7
-
- Inchi： 1S/C11H16O3/c12-9-8-11(10(13)14-9)6-4-2-1-3-5-7-11/h1-8H2
- InChI Key： FBDUQBCHJKJXBU-UHFFFAOYSA-N
- SMILES： O1C(CC2(C1=O)CCCCCCC2)=O
Computed Properties
- Exact Mass: 196.10998
- Monoisotopic Mass: 196.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 249
- 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: 2.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2-Oxaspiro[4.7]dodecane-1,3-dione Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
4744-84-7 (2-Oxaspiro[4.7]dodecane-1,3-dione) Related Products
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