Cas no 83559-36-8 (4H-1,3-Dioxin-4-one, 2,2-diethyl-6-methyl-)
83559-36-8 structure
Product Name:4H-1,3-Dioxin-4-one, 2,2-diethyl-6-methyl-
CAS No:83559-36-8
MF:C9H14O3
MW:170.205663204193
CID:2804494
PubChem ID:10749672
Update Time:2025-04-21
4H-1,3-Dioxin-4-one, 2,2-diethyl-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- DTXSID80444286
- 4H-1,3-Dioxin-4-one, 2,2-diethyl-6-methyl-
- 83559-36-8
-
- Inchi： 1S/C9H14O3/c1-4-9(5-2)11-7(3)6-8(10)12-9/h6H,4-5H2,1-3H3
- InChI Key： KUPZUTHZWNAXOV-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(=O)OC1(CC)CC
Computed Properties
- Exact Mass: 170.094294304Da
- Monoisotopic Mass: 170.094294304Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 214
- 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: 2.2
- Topological Polar Surface Area: 35.5?2
4H-1,3-Dioxin-4-one, 2,2-diethyl-6-methyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
83559-36-8 (4H-1,3-Dioxin-4-one, 2,2-diethyl-6-methyl-) Related Products
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