Cas no 91968-83-1 (hexyl thiophene-2-carboxylate)
hexyl thiophene-2-carboxylate structure
Product Name:hexyl thiophene-2-carboxylate
CAS No:91968-83-1
MF:C11H16O2S
MW:212.308542251587
CID:1971627
PubChem ID:574113
Update Time:2025-04-21
hexyl thiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- hexyl thiophene-2-carboxylate
- 2-thiophenecarboxylic acid, hexyl ester
- Hexyl 2-thiophenecarboxylate
- thiophene-2-carboxylic acid hexyl ester
- PJYCYAKGVCZVQF-UHFFFAOYSA-N
- AKOS017218956
- DTXSID301034251
- Hexyl 2-thiophenecarboxylate #
- 91968-83-1
-
- Inchi： 1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3
- InChI Key： PJYCYAKGVCZVQF-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(=O)OCCCCCC
Computed Properties
- Exact Mass: 212.087
- Monoisotopic Mass: 212.087
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 171
- 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: 4.3
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- Density: 1.065
- Boiling Point: 289.7°C at 760 mmHg
- Flash Point: 129°C
- Refractive Index: 1.509
hexyl thiophene-2-carboxylate Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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