Cas no 110168-51-9 (2,2,5-trimethyl-1,3-dioxin-4-one)
110168-51-9 structure
Product Name:2,2,5-trimethyl-1,3-dioxin-4-one
CAS No:110168-51-9
MF:C7H10O3
MW:142.152502536774
CID:2606310
PubChem ID:13698270
Update Time:2025-04-21
2,2,5-trimethyl-1,3-dioxin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 2,2,5-trimethyl-1,3-dioxin-4-one
- DTXSID80547004
- SCHEMBL6511417
- DTXCID90497788
- 110168-51-9
- 2,2,5-Trimethyl-2H,4H-1,3-dioxin-4-one
-
- Inchi： 1S/C7H10O3/c1-5-4-9-7(2,3)10-6(5)8/h4H,1-3H3
- InChI Key： LOTZEUSHKCAQNQ-UHFFFAOYSA-N
- SMILES： O1C(C(C)=COC1(C)C)=O
Computed Properties
- Exact Mass: 142.062994177Da
- Monoisotopic Mass: 142.062994177Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 191
- 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: 1.2
- Topological Polar Surface Area: 35.5?2
2,2,5-trimethyl-1,3-dioxin-4-one 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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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