4-Oxo-4-(3-(1-propylpentadecyl)phenyl)-2-butenoic acid

Base Information

• Chemical Name: 4-Oxo-4-(3-(1-propylpentadecyl)phenyl)-2-butenoic acid
• CAS No.: 133800-88-1
• Molecular Formula: C28H44O3
• Molecular Weight: 428.65
• ChEMBL ID: CHEMBL260288
• Mol file: 133800-88-1.mol

Synonyms:3-(4-octadecyl)benzoylacrylic acid;3-(4-octadecylbenzoyl)acrylic acid;3-OBAA;4-(4-octadecylphenyl)-4-oxobutenoic acid

Chemical Property of 4-Oxo-4-(3-(1-propylpentadecyl)phenyl)-2-butenoic acid

Chemical Property:

• Vapor Pressure: 5.75E-13mmHg at 25°C
• Boiling Point: 550.8°Cat760mmHg
• Flash Point: 301°C
• PSA: 0.00000
• Density: 0.974g/cm³
• LogP: 0.00000
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 428.32904526
• Heavy Atom Count: 31
• Complexity: 497

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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