5-(8,11,14-Pentadecatrienyl)resorcinol

Base Information

• Chemical Name: 5-(8,11,14-Pentadecatrienyl)resorcinol
• CAS No.: 79473-24-8
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.468
• Nikkaji Number: J489.556H
• Metabolomics Workbench ID: 48237
• Mol file: 79473-24-8.mol

Synonyms:5-(8(Z),11(Z),14-pentadecatrienyl)resorcinol;5-(8,11,14-pentadecatrienyl)resorcinol;PDCTR

Chemical Property of 5-(8,11,14-Pentadecatrienyl)resorcinol

Chemical Property:

• Vapor Pressure: 1.4E-09mmHg at 25°C
• Boiling Point: 473.2°C at 760 mmHg
• PKA: 9.55±0.10(Predicted)
• Flash Point: 209.8°C
• PSA: 40.46000
• Density: 0.997g/cm³
• LogP: 6.23040
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 314.224580195
• Heavy Atom Count: 23
• Complexity: 336

Purity/Quality:

≥95% ^*data from raw suppliers

Cardol triene ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC=CCC=CCCCCCCCC1=CC(=CC(=C1)O)O
• Isomeric SMILES: C=CC/C=C/C/C=C/CCCCCCCC1=CC(=CC(=C1)O)O

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