5-Acetyl-2-methylbenzenesulfonic acid

Base Information

• Chemical Name: 5-Acetyl-2-methylbenzenesulfonic acid
• CAS No.: 101669-07-2
• Molecular Formula: C9H10O4S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70532181
• Nikkaji Number: J135.036F
• Wikidata: Q82404589
• Mol file: 101669-07-2.mol

Synonyms:5-Acetyl-2-methylbenzenesulfonic acid;101669-07-2;SCHEMBL10387211;DTXSID70532181;ZAIXVPDZCGSDNS-UHFFFAOYSA-N;5-Acetyl-2-methylbenzene-1-sulfonic acid

Chemical Property of 5-Acetyl-2-methylbenzenesulfonic acid

Chemical Property:

• PSA: 79.82000
• LogP: 2.52510
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.02997997
• Heavy Atom Count: 14
• Complexity: 314

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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