Gniditrin

Base Information

• Chemical Name: Gniditrin
• CAS No.: 55306-10-0
• Molecular Formula: C₃₇H₄₂O₁₀
• Molecular Weight: 646.734
• NSC Number: 238943
• Mol file: 55306-10-0.mol

Synonyms:gniditrin

Chemical Property of Gniditrin

Chemical Property:

• Vapor Pressure: 2.65E-26mmHg at 25°C
• Boiling Point: 790°C at 760 mmHg
• Flash Point: 246.2°C
• Density: 1.37g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 646.27779753
• Heavy Atom Count: 47
• Complexity: 1460

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC=CC=CC=CC(=O)OC1C(C23C4C=C(C(=O)C4(C(C5(C(C2C6C1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C
• Isomeric SMILES: CCC/C=C/C=C/C=C/C(=O)OC1C(C23C4C=C(C(=O)C4(C(C5(C(C2C6C1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C