Cibaric acid

Base Information

• Chemical Name: Cibaric acid
• CAS No.: 130523-93-2
• Molecular Formula: C18H28 O5
• Molecular Weight: 324.41
• DSSTox Substance ID: DTXSID101168359
• Nikkaji Number: J374.901K
• Wikidata: Q77513850
• Mol file: 130523-93-2.mol

Synonyms:14,18-dihydroxy-12-oxo-9,13,15-octadecatrienoic acid;cibaric acid

Chemical Property of Cibaric acid

Chemical Property:

• Vapor Pressure: 1.22E-12mmHg at 25°C
• Melting Point: 69.5-70.5 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 512.3°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 277.7°C
• PSA: 94.83000
• Density: 1.106g/cm³
• LogP: 3.69760
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 324.19367399
• Heavy Atom Count: 23
• Complexity: 421

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCC=CCC(=O)C=C(C=CCCO)O)CCCC(=O)O
• Isomeric SMILES: C(CCC/C=C\CC(=O)/C=C(/C=C/CCO)\O)CCCC(=O)O