5-(3-Sulphopropoxy)isophthalic acid

Base Information

• Chemical Name: 5-(3-Sulphopropoxy)isophthalic acid
• CAS No.: 93820-01-0
• Molecular Formula: C11H12 O8 S
• Molecular Weight: 304.27318
• European Community (EC) Number: 298-585-2
• DSSTox Substance ID: DTXSID20239719
• Nikkaji Number: J280.689D
• Wikidata: Q83122143
• Mol file: 93820-01-0.mol

Synonyms:5-(3-Sulphopropoxy)isophthalic acid;93820-01-0;EINECS 298-585-2;5-(3-SULFOPROPOXY)ISOPHTHALIC ACID;SCHEMBL340217;C11H12O8S;DTXSID20239719;C11-H12-O8-S

Chemical Property of 5-(3-Sulphopropoxy)isophthalic acid

Chemical Property:

• PSA: 146.58000
• Density: 1.601g/cm³
• LogP: 1.82050
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 304.02528851
• Heavy Atom Count: 20
• Complexity: 430

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(=O)O)OCCCS(=O)(=O)O)C(=O)O

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