3-Hydroxy-5-methylbenzenesulfonic acid

Base Information

• Chemical Name: 3-Hydroxy-5-methylbenzenesulfonic acid
• CAS No.: 98-20-4
• Molecular Formula: C7H8O4S
• Molecular Weight: 0
• UNII: 6Q04T5296F
• DSSTox Substance ID: DTXSID00388577
• Nikkaji Number: J163.813K
• Wikidata: Q27265300
• Mol file: 98-20-4.mol

Synonyms:3-hydroxy-5-methylbenzenesulfonic acid;Metacresol-5-sulfonic acid;5-Hydroxy-m-toluenesulfonic acid;m-Toluenesulfonic acid, 5-hydroxy-;98-20-4;UNII-6Q04T5296F;Benzenesulfonic acid, 3-hydroxy-5-methyl-;6Q04T5296F;m-Cresol-5-sulfonic acid;DTXSID00388577;AKOS006275494;3-hydroxy-5-methylbenzene-1-sulfonic acid;Q27265300

Chemical Property of 3-Hydroxy-5-methylbenzenesulfonic acid

Chemical Property:

• PSA: 82.98000
• LogP: 2.02810
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 188.01432991
• Heavy Atom Count: 12
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)S(=O)(=O)O)O