6-Ethylpyridine-3-sulfonic acid

Base Information

• Chemical Name: 6-Ethylpyridine-3-sulfonic acid
• CAS No.: 801144-32-1
• Molecular Formula: C7H9NO3S
• Molecular Weight: 187.21626
• DSSTox Substance ID: DTXSID20704558
• Wikidata: Q82637014
• Mol file: 801144-32-1.mol

Synonyms:6-Ethylpyridine-3-sulfonic acid;801144-32-1;DTXSID20704558;FT-0757108

Chemical Property of 6-Ethylpyridine-3-sulfonic acid

Chemical Property:

• PKA: -2.15±0.50(Predicted)
• PSA: 75.64000
• Density: 1.354±0.06 g/cm3(Predicted)
• LogP: 1.97150
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC=C(C=C1)S(=O)(=O)O