Cas no 82919-39-9 (1,3,5-Benzenetrisulfonicacid, 2-hydroxy-4-methyl-)
82919-39-9 structure
Product Name:1,3,5-Benzenetrisulfonicacid, 2-hydroxy-4-methyl-
CAS No:82919-39-9
MF:C7H8O10S3
MW:348.327419281006
CID:733297
PubChem ID:11970692
Update Time:2025-04-19
1,3,5-Benzenetrisulfonicacid, 2-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetrisulfonicacid, 2-hydroxy-4-methyl-
- 2-hydroxy-4-methylbenzene-1,3,5-trisulfonic acid
- 3-hydroxytoluene-2,4,6-trisulphonic acid
- NS00059089
- SCHEMBL8367840
- 82919-39-9
- DTXSID001003001
- 3-HYDROXYTOLUENE-2,4,6-TRISULFONIC ACID
- EINECS 280-063-0
-
- Inchi： 1S/C7H8O10S3/c1-3-4(18(9,10)11)2-5(19(12,13)14)6(8)7(3)20(15,16)17/h2,8H,1H3,(H,9,10,11)(H,12,13,14)(H,15,16,17)
- InChI Key： XUXZPDVMOQZNLO-UHFFFAOYSA-N
- SMILES： S(C1C(=C(C=C(C=1C)S(=O)(=O)O)S(=O)(=O)O)O)(=O)(=O)O
Computed Properties
- Exact Mass: 347.927959
- Monoisotopic Mass: 347.927959
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 658
- 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
- Topological Polar Surface Area: 209
- XLogP3: -1.3
Experimental Properties
- Density: 2.02
- Refractive Index: 1.664
1,3,5-Benzenetrisulfonicacid, 2-hydroxy-4-methyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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