(E)-3-(4-sulfooxyphenyl)prop-2-enoic acid

Base Information

• Chemical Name: (E)-3-(4-sulfooxyphenyl)prop-2-enoic acid
• CAS No.: 151481-49-1
• Molecular Formula: C9H8 O6 S
• Molecular Weight: 0.00000
• DSSTox Substance ID: DTXSID701035287
• Nikkaji Number: J770.636G,J1.994.708D
• Metabolomics Workbench ID: 78564
• ChEMBL ID: CHEMBL575429
• Mol file: 151481-49-1.mol

Synonyms:zosteric acid

Chemical Property of (E)-3-(4-sulfooxyphenyl)prop-2-enoic acid

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 244.00415914
• Heavy Atom Count: 16
• Complexity: 358

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)OS(=O)(=O)O
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)O)OS(=O)(=O)O