1-(5-Acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one

Base Information

• Chemical Name: 1-(5-Acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
• CAS No.: 108051-26-9
• Molecular Formula: C18H16 O5
• Molecular Weight: 312.32
• Wikidata: Q76388911
• Mol file: 108051-26-9.mol

Synonyms:1-(5-Acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one;BRN 5589031;108051-26-9;Acrylophenone, 5'-acetyl-2',4'-dihydroxy-3-(p-methoxyphenyl)-;2-Propen-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-;LS-123800

Chemical Property of 1-(5-Acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one

Chemical Property:

• Vapor Pressure: 5.51E-13mmHg at 25°C
• Boiling Point: 556.4°Cat760mmHg
• Flash Point: 205°C
• PSA: 83.83000
• Density: 1.289g/cm³
• LogP: 3.20510
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 312.09977361
• Heavy Atom Count: 23
• Complexity: 450

Purity/Quality:

1-(5-ACETYL-2,4-DIHYDROXYPHENYL)-3-(4-METHOXYPHENYL)-2-PROPEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1O)O)C(=O)C=CC2=CC=C(C=C2)OC
• Isomeric SMILES: CC(=O)C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC=C(C=C2)OC