Cas no 87769-40-2 (4H-1,3-Dioxin-4-one, 5-ethyl-2,2,6-trimethyl-)
87769-40-2 structure
Product Name:4H-1,3-Dioxin-4-one, 5-ethyl-2,2,6-trimethyl-
CAS No:87769-40-2
MF:C9H14O3
MW:170.205663204193
CID:652487
PubChem ID:13157022
Update Time:2025-04-19
4H-1,3-Dioxin-4-one, 5-ethyl-2,2,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1,3-Dioxin-4-one, 5-ethyl-2,2,6-trimethyl-
- 5-ethyl-2,2,6-trimethyl-1,3-dioxin-4-one
- DTXSID60523028
- 5-Ethyl-2,2,6-trimethyl-2H,4H-1,3-dioxin-4-one
- SCHEMBL7428431
- 87769-40-2
-
- Inchi: 1S/C9H14O3/c1-5-7-6(2)11-9(3,4)12-8(7)10/h5H2,1-4H3
- InChI Key: ZYILMIXAVLPPRF-UHFFFAOYSA-N
- SMILES: O1C(C)=C(C(=O)OC1(C)C)CC
Computed Properties
- Exact Mass: 170.094294304g/mol
- Monoisotopic Mass: 170.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 238
- 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
- Topological Polar Surface Area: 35.5?2
4H-1,3-Dioxin-4-one, 5-ethyl-2,2,6-trimethyl- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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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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