Cas no 5663-40-1 (1,3-Dioxane, 2-(4-methylphenyl)-)
5663-40-1 structure
Product Name:1,3-Dioxane, 2-(4-methylphenyl)-
CAS No:5663-40-1
MF:C11H14O2
MW:178.227663516998
CID:348284
PubChem ID:15357628
Update Time:2025-04-19
1,3-Dioxane, 2-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 2-(4-methylphenyl)-
- 2-(4-methylphenyl)-1,3-dioxane
- 2-p-Tolyl-[1,3]dioxane
- 5663-40-1
- SCHEMBL3083609
- DTXSID10571953
-
- Inchi： 1S/C11H14O2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h3-6,11H,2,7-8H2,1H3
- InChI Key： IZCTWCFFZSUJQS-UHFFFAOYSA-N
- SMILES： O1CCCOC1C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 178.09942
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 144
- 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: 2.1
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-Dioxane, 2-(4-methylphenyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
5663-40-1 (1,3-Dioxane, 2-(4-methylphenyl)-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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