2,4,7-Decatrienoic acid

Base Information

• Chemical Name: 2,4,7-Decatrienoic acid
• CAS No.: 78417-28-4
• Molecular Formula: C12H18 O2
• Molecular Weight: 194.27
• Metabolomics Workbench ID: 46886
• Nikkaji Number: J2.367.511K
• Wikidata: Q76511787
• Mol file: 78417-28-4.mol

Synonyms:2,4,7-Decatrienoic acid;(2E,4E,7E)-deca-2,4,7-trienoic acid;SCHEMBL3692461;SCHEMBL4654275;CHEBI:169457;LMFA01030962

Chemical Property of 2,4,7-Decatrienoic acid

Chemical Property:

• Vapor Pressure: 0.00353mmHg at 25°C
• Boiling Point: 281.6°C at 760 mmHg
• Flash Point: 139.9°C
• PSA: 26.30000
• Density: 0.92g/cm³
• LogP: 3.01820
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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