3-(3-sulfooxyphenyl)propanoic Acid

Base Information

• Chemical Name: 3-(3-sulfooxyphenyl)propanoic Acid
• CAS No.: 86321-32-6
• Molecular Formula: C9H10O6S
• Molecular Weight: 246.241
• DSSTox Substance ID: DTXSID70235488
• Wikidata: Q27133270
• Metabolomics Workbench ID: 63371

Synonyms:3-(3-sulfooxyphenyl)propanoic Acid;86321-32-6;3-[3-(sulfooxy)phenyl]propanoic acid;mhppa sulfate;3-(m-sulfooxyphenyl)propanoic acid;3-(3-(Sulfooxy)phenyl)propanoic acid;3-(3-hydroxyphenyl)propanoic acid sulfate;SCHEMBL17164599;CHEBI:64414;DTXSID70235488;3-(3-(sulfooxy)phenyl) propanoic acid;3-(3-Hydroxyphenyl)propionic acid sulfate;EN300-6477018;Q27133270

Chemical Property of 3-(3-sulfooxyphenyl)propanoic Acid

Chemical Property:

• PSA: 109.28000
• Density: 1.544g/cm³
• LogP: 1.96620
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 246.01980921
• Heavy Atom Count: 16
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OS(=O)(=O)O)CCC(=O)O

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