Cas no 89762-87-8 (Benzenesulfonic acid, 3,5-dimethyl-, methyl ester)
89762-87-8 structure
Product Name:Benzenesulfonic acid, 3,5-dimethyl-, methyl ester
CAS No:89762-87-8
MF:C9H12O3S
MW:200.254781723022
CID:589894
PubChem ID:13213802
Update Time:2025-04-19
Benzenesulfonic acid, 3,5-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonic acid, 3,5-dimethyl-, methyl ester
- methyl 3,5-dimethylbenzenesulfonate
- 89762-87-8
- DTXSID50528582
- Methyl 3,5-dimethylbenzene-1-sulfonate
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- Inchi： 1S/C9H12O3S/c1-7-4-8(2)6-9(5-7)13(10,11)12-3/h4-6H,1-3H3
- InChI Key： LVZDNXBYDRYDIK-UHFFFAOYSA-N
- SMILES： S(C1C=C(C)C=C(C)C=1)(=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: 243
- 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, 3,5-dimethyl-, methyl ester Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
89762-87-8 (Benzenesulfonic acid, 3,5-dimethyl-, methyl ester) Related Products
- 80-48-8(methyl 4-methylbenzene-1-sulfonate)
- 23373-38-8(Benzenesulfonic acid,2-methyl-, methyl ester)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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