Cas no 1300-37-4 (Barium bis(hydroxybenzenesulphonate))
1300-37-4 structure
Product Name:Barium bis(hydroxybenzenesulphonate)
CAS No:1300-37-4
MF:C12H10BaO8S2
MW:483.659997463226
CID:230813
PubChem ID:6451217
Update Time:2025-04-19
Barium bis(hydroxybenzenesulphonate) Chemical and Physical Properties
Names and Identifiers
-
- Barium bis(hydroxybenzenesulphonate)
- BARIUM PHENOLSULFONATE
- barium(2+),2-hydroxybenzenesulfonate
- barium(2+) bis(2-hydroxybenzenesulfonate)
- BARIUM SULFOCARBOLATE
- P-PHENOLSULFONIC ACID BARIUM SALT
- 1300-37-4
- DTXSID70156285
- FT-0737885
- NS00081265
- EINECS 215-084-6
- Benzenesulfonic acid, hydroxy-, barium salt (2:1)
- SCHEMBL359607
- barium(2+);2-hydroxybenzenesulfonate
-
- Inchi： 1S/2C6H6O4S.Ba/c2*7-5-3-1-2-4-6(5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
- InChI Key： SAMQGYDWPDZOHP-UHFFFAOYSA-L
- SMILES： [Ba+2].S(C1C=CC=CC=1O)(=O)(=O)[O-].S(C1C=CC=CC=1O)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 483.88700
- Monoisotopic Mass: 483.886957g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 202
- 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: 172?2
Experimental Properties
- PSA: 171.62000
- LogP: 2.75420
Barium bis(hydroxybenzenesulphonate) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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