Scirpusin B

Base Information

• Chemical Name: Scirpusin B
• CAS No.: 69297-49-0
• Molecular Formula: C28H22 O8
• Molecular Weight: 0
• NSC Number: 600679
• Metabolomics Workbench ID: 141246
• ChEMBL ID: CHEMBL514088
• Mol file: 69297-49-0.mol

Synonyms:scirpusin B

Chemical Property of Scirpusin B

Chemical Property:

• Vapor Pressure: 1.79E-24mmHg at 25°C
• Boiling Point: 768.6°C at 760 mmHg
• Flash Point: 418.6°C
• Density: 1.568g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 486.13146766
• Heavy Atom Count: 36
• Complexity: 752

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1/C=C/C2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O

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