Colnelenic acid

Base Information

• Chemical Name: Colnelenic acid
• CAS No.: 52591-16-9
• Molecular Formula: C18H28O3
• Molecular Weight: 292.41
• DSSTox Substance ID: DTXSID801189924
• Wikidata: Q27130329
• Metabolomics Workbench ID: 4705
• Mol file: 52591-16-9.mol

Synonyms:colnelenic acid

Chemical Property of Colnelenic acid

Chemical Property:

• Vapor Pressure: 3.29E-09mmHg at 25°C
• Boiling Point: 446.3°Cat760mmHg
• Flash Point: 152.7°C
• PSA: 46.53000
• Density: 0.971g/cm³
• LogP: 5.36810
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 292.20384475
• Heavy Atom Count: 21
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

COLNELENIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC=CC=COC=CCCCCCCC(=O)O
• Isomeric SMILES: CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O

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