Calcium guaiacol sulfonate

Base Information

• Chemical Name: Calcium guaiacol sulfonate
• CAS No.: 7546-27-2
• Molecular Formula: C7H8 O5 S . 1/2 Ca
• Molecular Weight: 446.46296
• European Community (EC) Number: 231-429-3
• UNII: 9TQ21UB1RS
• DSSTox Substance ID: DTXSID10226390
• Wikidata: Q27273203
• Mol file: 7546-27-2.mol

Synonyms:Calcium guaiacol sulfonate;7546-27-2;Calcium guaiacol sulphonate;calcium 5-guaiacolsulfonate;UNII-9TQ21UB1RS;9TQ21UB1RS;EINECS 231-429-3;calcium bis(3-hydroxy-4-methoxybenzenesulfonate);Calcium bis(3-hydroxy-4-methoxybenzenesulphonate);Benzenesulfonic acid, 3-hydroxy-4-methoxy-, calcium salt (2:1);UNII-7YC2W92P1G;C7H8O5S.1/2Ca;DTXSID10226390;C7-H8-O5-S.1/2Ca;Q27273203;Benzenesulfonic acid, 3-hydroxy-4-methoxy-, monocalcium salt

Chemical Property of Calcium guaiacol sulfonate

Chemical Property:

• PSA: 190.08000
• LogP: 3.55220
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 445.9654298
• Heavy Atom Count: 27
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)[O-])O.COC1=C(C=C(C=C1)S(=O)(=O)[O-])O.[Ca+2]

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