Cas no 78622-30-7 (1-Octanesulfonic acid, pentyl ester)
78622-30-7 structure
Product Name:1-Octanesulfonic acid, pentyl ester
CAS No:78622-30-7
MF:C13H28O3S
MW:264.42462348938
CID:534218
PubChem ID:12696097
Update Time:2025-04-19
1-Octanesulfonic acid, pentyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Octanesulfonic acid, pentyl ester
- pentyl octane-1-sulfonate
- SCHEMBL11254241
- DTXSID30507193
- 78622-30-7
-
- Inchi： 1S/C13H28O3S/c1-3-5-7-8-9-11-13-17(14,15)16-12-10-6-4-2/h3-13H2,1-2H3
- InChI Key： FIDPLUKVWQUGMA-UHFFFAOYSA-N
- SMILES： S(CCCCCCCC)(=O)(=O)OCCCCC
Computed Properties
- Exact Mass: 264.17591592g/mol
- Monoisotopic Mass: 264.17591592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 242
- 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: 4.9
- Topological Polar Surface Area: 51.8?2
1-Octanesulfonic acid, pentyl ester Related Literature
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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5. 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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