Cas no 75307-61-8 (1,3-Dioxane-4,5,6-trione, 2,2-dimethyl-)
75307-61-8 structure
Product Name:1,3-Dioxane-4,5,6-trione, 2,2-dimethyl-
CAS No:75307-61-8
MF:C6H6O5
MW:158.108842372894
CID:539772
PubChem ID:12639418
Update Time:2025-04-19
1,3-Dioxane-4,5,6-trione, 2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4,5,6-trione, 2,2-dimethyl-
- 2,2-dimethyl-1,3-dioxane-4,5,6-trione
- 75307-61-8
- DTXSID20505284
-
- Inchi： 1S/C6H6O5/c1-6(2)10-4(8)3(7)5(9)11-6/h1-2H3
- InChI Key： IDRRJTYLFQIZFO-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OC1(C)C)=O)=O
Computed Properties
- Exact Mass: 158.02148
- Monoisotopic Mass: 158.02152329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 217
- 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: 0.8
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
1,3-Dioxane-4,5,6-trione, 2,2-dimethyl- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
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