Cas no 26154-63-2 (4-Azuleneethanol,4-(4-methylbenzenesulfonate))
26154-63-2 structure
Product Name:4-Azuleneethanol,4-(4-methylbenzenesulfonate)
CAS No:26154-63-2
MF:C19H18O3S
MW:326.409424304962
CID:280771
PubChem ID:141270
Update Time:2025-04-19
4-Azuleneethanol,4-(4-methylbenzenesulfonate) Chemical and Physical Properties
Names and Identifiers
-
- 4-Azuleneethanol,4-(4-methylbenzenesulfonate)
- 2-azulen-4-ylethyl 4-methylbenzenesulfonate
- 4-Toluenesulfonic acid 4-azulylethyl ester
- 26154-63-2
- DTXSID20180777
-
- Inchi： 1S/C19H18O3S/c1-15-9-11-18(12-10-15)23(20,21)22-14-13-17-6-3-2-5-16-7-4-8-19(16)17/h2-12H,13-14H2,1H3
- InChI Key： INMMWFDWWQDEBX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OCCC1=CC=CC=C2C=CC=C12
Computed Properties
- Exact Mass: 326.09774
- Monoisotopic Mass: 326.098
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 460
- 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: 4.5
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- Density: 1.23
- Boiling Point: 513.8°Cat760mmHg
- Flash Point: 264.5°C
- Refractive Index: 1.622
- PSA: 43.37
4-Azuleneethanol,4-(4-methylbenzenesulfonate) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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