Cas no 34742-11-5 (Benzenesulfonic acid,hydroxymethyl-, monosodium salt (9CI))
34742-11-5 structure
Product Name:Benzenesulfonic acid,hydroxymethyl-, monosodium salt (9CI)
CAS No:34742-11-5
MF:C7H7NaO4S
MW:210.1828520298
CID:317297
Update Time:2024-01-28
Benzenesulfonic acid,hydroxymethyl-, monosodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,hydroxymethyl-, monosodium salt (9CI)
- sodium,2-(hydroxymethyl)benzenesulfonate
- Monosodium hydroxymethylbenzenesulphonate
- sodium hydroxymethylbenzenesulphonate
- Hydroxymethylbenzensulfonic acid sodium salt
-
- Inchi： 1S/C7H8O4S.Na/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4,8H,5H2,(H,9,10,11);/q;+1/p-1
- InChI Key： GTNNBUGYJYIQGZ-UHFFFAOYSA-M
- SMILES： S(=O)(=O)([O-])C1=CC=C(CO)C=C1.[Na+]
Computed Properties
- Exact Mass: 211.00414
- Monoisotopic Mass: 209.996274
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 233
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 85.8
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 63.6
Benzenesulfonic acid,hydroxymethyl-, monosodium salt (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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