2-[4-(5-Ethylthiophene-2-carbonyl)phenyl]propanoic acid

Base Information

• Chemical Name: 2-[4-(5-Ethylthiophene-2-carbonyl)phenyl]propanoic acid
• CAS No.: 77614-41-6
• Molecular Formula: C16H16 O3 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50998827
• Mol file: 77614-41-6.mol

Synonyms:77614-41-6;2-[4-(5-ethylthiophene-2-carbonyl)phenyl]propanoic acid;4-((5-Ethyl-2-thienyl)carbonyl)-alpha-methylbenzeneacetic acid;Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-;C16H16O3S;DTXSID50998827;LS-28800

Chemical Property of 2-[4-(5-Ethylthiophene-2-carbonyl)phenyl]propanoic acid

Chemical Property:

• Vapor Pressure: 1.17E-09mmHg at 25°C
• Boiling Point: 470.5°C at 760 mmHg
• Flash Point: 238.4°C
• PSA: 82.61000
• Density: 1.229g/cm³
• LogP: 3.72960
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 288.08201554
• Heavy Atom Count: 20
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(S1)C(=O)C2=CC=C(C=C2)C(C)C(=O)O