Cas no 17139-96-7 (Phenol, 2-methoxy-,1-(hydrogen sulfate), calcium salt (2:1))
17139-96-7 structure
Product Name:Phenol, 2-methoxy-,1-(hydrogen sulfate), calcium salt (2:1)
CAS No:17139-96-7
MF:C14H14CaO10S2
MW:446.462961673737
CID:122122
Update Time:2024-01-24
Phenol, 2-methoxy-,1-(hydrogen sulfate), calcium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-methoxy-,1-(hydrogen sulfate), calcium salt (2:1)
- CALCIUM GUAIACOLSULFONATE
- calcium,(2-hydroxyphenoxy)methanesulfonate
- calcium(2+) bis(2-hydroxyphenoxymethanesulfonate)
- CALCIUM GUAIACOSULFONATE
-
- Inchi： 1S/2C7H8O5S.Ca/c2*1-12-5-3-2-4-6(7(5)8)13(9,10)11;/h2*2-4,8H,1H3,(H,9,10,11);/q;;+2/p-2
- InChI Key： NAEMJSCYKBZEFJ-UHFFFAOYSA-L
- SMILES： C1(S([O-])(=O)=O)C=CC=C(OC)C=1O.C1(S([O-])(=O)=O)C=CC=C(OC)C=1O.[Ca+2]
Computed Properties
- Exact Mass: 445.96500
- Monoisotopic Mass: 445.965429
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 229
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 190
Experimental Properties
- Density: g/cm3
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 190.08000
- LogP: 2.77140
Phenol, 2-methoxy-,1-(hydrogen sulfate), calcium salt (2:1) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| City Chemical | C254-100GM |
Calcium Guaiacosulfonate |
17139-96-7 | powder | 100gm |
$84.17 | 2023-09-19 |
Phenol, 2-methoxy-,1-(hydrogen sulfate), calcium salt (2:1) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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