Cas no 113495-34-4 (1,3-Dioxan-2-one, 4-ethenyl-)
1,3-Dioxan-2-one, 4-ethenyl- structure
Product Name:1,3-Dioxan-2-one, 4-ethenyl-
CAS No:113495-34-4
MF:C6H8O3
MW:128.125922203064
CID:1204218
PubChem ID:11040715
Update Time:2025-04-20
1,3-Dioxan-2-one, 4-ethenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxan-2-one, 4-ethenyl-
- 4-ethenyl-1,3-dioxan-2-one
- 113495-34-4
- DTXSID20452880
- 4-vinyl-1,3-dioxan-2-one
- SCHEMBL311005
-
- Inchi： 1S/C6H8O3/c1-2-5-3-4-8-6(7)9-5/h2,5H,1,3-4H2
- InChI Key： QLGJJADOIZNTGA-UHFFFAOYSA-N
- SMILES： O1C(=O)OCCC1C=C
Computed Properties
- Exact Mass: 142.063
- Monoisotopic Mass: 128.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
1,3-Dioxan-2-one, 4-ethenyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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