Cas no 832690-22-9 (2-Hexanol, 1-(phenylmethoxy)-, 4-methylbenzenesulfonate)
832690-22-9 structure
Product Name:2-Hexanol, 1-(phenylmethoxy)-, 4-methylbenzenesulfonate
CAS No:832690-22-9
MF:C20H28O5S
MW:380.4983253479
CID:675492
PubChem ID:71415929
Update Time:2025-04-19
2-Hexanol, 1-(phenylmethoxy)-, 4-methylbenzenesulfonate Chemical and Physical Properties
Names and Identifiers
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- 2-Hexanol, 1-(phenylmethoxy)-, 4-methylbenzenesulfonate
- 4-methylbenzenesulfonic acid,1-phenylmethoxyhexan-2-ol
- 832690-22-9
- DTXSID40835333
- 4-Methylbenzene-1-sulfonic acid--1-(benzyloxy)hexan-2-ol (1/1)
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- Inchi： 1S/C13H20O2.C7H8O3S/c1-2-3-9-13(14)11-15-10-12-7-5-4-6-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,13-14H,2-3,9-11H2,1H3;2-5H,1H3,(H,8,9,10)
- InChI Key： UUKGRKNXFZOCIY-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O.O(CC1C=CC=CC=1)CC(CCCC)O
Computed Properties
- Exact Mass: 380.16574516g/mol
- Monoisotopic Mass: 380.16574516g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 8
- Complexity: 348
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.2?2
2-Hexanol, 1-(phenylmethoxy)-, 4-methylbenzenesulfonate Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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