2-Benzoyl-3-hydroxy-5-methoxybenzenesulfonic acid

Base Information

• Chemical Name: 2-Benzoyl-3-hydroxy-5-methoxybenzenesulfonic acid
• CAS No.: 112501-13-0
• Molecular Formula: C14H12O6S
• Molecular Weight: 308.30600
• DSSTox Substance ID: DTXSID10920821
• Nikkaji Number: J120.275H
• Wikidata: Q82893531
• Mol file: 112501-13-0.mol

Synonyms:112501-13-0;2-Benzoyl-3-hydroxy-5-methoxybenzenesulfonic acid;Benzenesulfonic acid, 2-benzoyl-3-hydroxy-5-methoxy-;SCHEMBL13370040;DTXSID10920821;Benzenesulfonic acid, 2-benzoyl-3-hydroxy-5-meth;2-Benzoyl-3-hydroxy-5-methoxybenzene-1-sulfonic acid

Chemical Property of 2-Benzoyl-3-hydroxy-5-methoxybenzenesulfonic acid

Chemical Property:

• PSA: 109.28000
• LogP: 2.95930
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 308.03545927
• Heavy Atom Count: 21
• Complexity: 462

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)C2=CC=CC=C2)O