Cas no 89762-88-9 (Benzenesulfonic acid, 2,5-dimethyl-, methyl ester)
89762-88-9 structure
Product Name:Benzenesulfonic acid, 2,5-dimethyl-, methyl ester
CAS No:89762-88-9
MF:C9H12O3S
MW:200.254781723022
CID:589893
PubChem ID:13213803
Update Time:2025-04-19
Benzenesulfonic acid, 2,5-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 2,5-dimethyl-, methyl ester
- methyl 2,5-dimethylbenzenesulfonate
- 89762-88-9
- Methyl 2,5-dimethylbenzene-1-sulfonate
- SCHEMBL11713180
- methyl p-methyltoluenesulfonate
- DTXSID10528583
-
- Inchi： 1S/C9H12O3S/c1-7-4-5-8(2)9(6-7)13(10,11)12-3/h4-6H,1-3H3
- InChI Key： WPXWLDCJSZSAAU-UHFFFAOYSA-N
- SMILES： S(C1C=C(C)C=CC=1C)(=O)(=O)OC
Computed Properties
- Exact Mass: 200.05071541g/mol
- Monoisotopic Mass: 200.05071541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 253
- 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: 1.9
- Topological Polar Surface Area: 51.8?2
Benzenesulfonic acid, 2,5-dimethyl-, methyl ester Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
89762-88-9 (Benzenesulfonic acid, 2,5-dimethyl-, methyl ester) Related Products
- 80-48-8(methyl 4-methylbenzene-1-sulfonate)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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