11-Methyloctadeca-12-enoic acid

Base Information

• Chemical Name: 11-Methyloctadeca-12-enoic acid
• CAS No.: 129177-01-1
• Molecular Formula: C19H36 O2
• Molecular Weight: 296.4879
• Nikkaji Number: J858.591A,J662.936I
• Metabolomics Workbench ID: 429
• Mol file: 129177-01-1.mol

Synonyms:11-methyloctadeca-12-enoic acid;11-MODCA

Chemical Property of 11-Methyloctadeca-12-enoic acid

Chemical Property:

• Vapor Pressure: 8.41E-08mmHg at 25°C
• Boiling Point: 408.1°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 304.9°C
• PSA: 37.30000
• Density: 0.896g/cm³
• LogP: 6.35450
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 296.271530387
• Heavy Atom Count: 21
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CC(C)CCCCCCCCCC(=O)O
• Isomeric SMILES: CCCCC/C=C/C(C)CCCCCCCCCC(=O)O