CID 126007

Base Information

• Chemical Name: CID 126007
• CAS No.: 96623-01-7
• Molecular Formula: C₂₀H₁₃O₈S*Na
• Molecular Weight: 436.374

Synonyms:halenaquinol sulfate

Chemical Property of CID 126007

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 142.32000
• Density: g/cm³
• LogP: 3.88510
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 437.03070786
• Heavy Atom Count: 30
• Complexity: 834

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C3=COC(=C31)C(=O)C4=CC5=C(C=CC(=C5C=C24)OS(=O)(=O)O)O.[Na+]
• Isomeric SMILES: C[C@@]12CCC(=O)C3=COC(=C31)C(=O)C4=CC5=C(C=CC(=C5C=C24)OS(=O)(=O)O)O.[Na+]

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