Cas no 51591-49-2 (1,3-Dioxolane, 4-methyl-2-phenyl-, trans-)
51591-49-2 structure
Product Name:1,3-Dioxolane, 4-methyl-2-phenyl-, trans-
CAS No:51591-49-2
MF:C10H12O2
MW:164.201083183289
CID:361914
PubChem ID:910198
Update Time:2025-04-19
1,3-Dioxolane, 4-methyl-2-phenyl-, trans- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane, 4-methyl-2-phenyl-, trans-
- AC1LIRXK
- DTXSID60358690
- 51591-49-2
-
- Inchi： 1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10-/m1/s1
- InChI Key： CDIKGISJRLTLRA-PSASIEDQSA-N
- SMILES： O1[C@H](C2C=CC=CC=2)OC[C@H]1C
Computed Properties
- Exact Mass: 164.08376
- Monoisotopic Mass: 164.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-Dioxolane, 4-methyl-2-phenyl-, trans- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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