Cas no 116044-20-3 (4-methylbenzenesulfonic acid,2-propoxypropan-1-ol)
116044-20-3 structure
Product Name:4-methylbenzenesulfonic acid,2-propoxypropan-1-ol
CAS No:116044-20-3
MF:C13H22O5S
MW:290.375783443451
CID:2613989
PubChem ID:71338807
Update Time:2025-04-21
4-methylbenzenesulfonic acid,2-propoxypropan-1-ol Chemical and Physical Properties
Names and Identifiers
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- 4-methylbenzenesulfonic acid,2-propoxypropan-1-ol
- 116044-20-3
- DTXSID40766330
- 4-Methylbenzene-1-sulfonic acid--2-propoxypropan-1-ol (1/1)
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- Inchi： 1S/C7H8O3S.C6H14O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-4-8-6(2)5-7/h2-5H,1H3,(H,8,9,10);6-7H,3-5H2,1-2H3
- InChI Key： BJMGGILYYNOISA-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O.O(CCC)C(C)CO
Computed Properties
- Exact Mass: 290.11879497Da
- Monoisotopic Mass: 290.11879497Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 252
- 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
4-methylbenzenesulfonic acid,2-propoxypropan-1-ol Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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