Phthalexon S

Base Information

• Chemical Name: Phthalexon S
• CAS No.: 32736-66-6
• Molecular Formula: C29H28 N2 O13 S
• Molecular Weight: 644.6
• DSSTox Substance ID: DTXSID20954394
• Mol file: 32736-66-6.mol

Synonyms:phthalexon S;phthalexon-S;phthalexon-S, tetrasodium salt

Chemical Property of Phthalexon S

Chemical Property:

• PSA: 247.89000
• LogP: 2.13180
• XLogP3: -6.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 644.13121013
• Heavy Atom Count: 45
• Complexity: 1460

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3(C4C=C3C=CC4O)N(CC(=O)O)CC(=O)O)C5(C6C=C5C=CC6O)N(CC(=O)O)CC(=O)O

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