Cas no 5663-39-8 (1,3-Dioxane, 2-(2-methylphenyl)-)
5663-39-8 structure
Product Name:1,3-Dioxane, 2-(2-methylphenyl)-
CAS No:5663-39-8
MF:C11H14O2
MW:178.227663516998
CID:348285
PubChem ID:18927541
Update Time:2025-04-19
1,3-Dioxane, 2-(2-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 2-(2-methylphenyl)-
- 2-(2-methylphenyl)-1,3-dioxane
- DTXSID70596561
- AKOS006279680
- 5663-39-8
- SCHEMBL3083610
-
- Inchi： 1S/C11H14O2/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11/h2-3,5-6,11H,4,7-8H2,1H3
- InChI Key： JEXRDFJVEPBRHO-UHFFFAOYSA-N
- SMILES： O1CCCOC1C1C=CC=CC=1C
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: 152
- 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-(2-methylphenyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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