Sorocein A

Base Information

• Chemical Name: Sorocein A
• CAS No.: 137460-77-6
• Molecular Formula: C₃₉H₃₄O₈
• Molecular Weight: 630.694
• Nikkaji Number: J556.816A
• Mol file: 137460-77-6.mol

Synonyms:sorocein A

Chemical Property of Sorocein A

Chemical Property:

• Vapor Pressure: 1.2E-27mmHg at 25°C
• Boiling Point: 814.6°C at 760 mmHg
• Flash Point: 446.5°C
• PSA: 128.84000
• Density: 1.403g/cm³
• LogP: 8.04060
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 630.22536804
• Heavy Atom Count: 47
• Complexity: 1260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)C=CC6=C(C=C(C=C6)O)O)C7=C8C(=C(C=C7)O)C=CC(O8)(C)C
• Isomeric SMILES: CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)/C=C/C6=C(C=C(C=C6)O)O)C7=C8C(=C(C=C7)O)C=CC(O8)(C)C

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