Cas no 7456-84-0 (1,4-Dioxane-2,6-diol)
1,4-Dioxane-2,6-diol structure
Product Name:1,4-Dioxane-2,6-diol
CAS No:7456-84-0
MF:C4H8O4
MW:120.103921890259
CID:2800912
PubChem ID:15582223
Update Time:2025-04-21
1,4-Dioxane-2,6-diol Chemical and Physical Properties
Names and Identifiers
-
- 7456-84-0
- DTXSID20574879
- 1,4-Dioxane-2,6-diol
- SCHEMBL3078583
- DTXCID90525651
-
- Inchi： 1S/C4H8O4/c5-3-1-7-2-4(6)8-3/h3-6H,1-2H2
- InChI Key： JEGYEELCLMHWPH-UHFFFAOYSA-N
- SMILES： O1C(COCC1O)O
Computed Properties
- Exact Mass: 120.04225873Da
- Monoisotopic Mass: 120.04225873Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 66.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.3
- Topological Polar Surface Area: 58.9?2
1,4-Dioxane-2,6-diol Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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