methyl 4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzoate

Base Information

• Chemical Name: methyl 4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
• CAS No.: 6028-42-8
• Molecular Formula: CCa3 O7 Si
• Molecular Weight: 296.3172
• DSSTox Substance ID: DTXSID10417342
• Wikidata: Q82227186
• ChEMBL ID: CHEMBL1525742
• Mol file: 6028-42-8.mol

Synonyms:6028-42-8;methyl 4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzoate;methyl 4-[3-(3-methoxyphenyl)-3-oxo-1-propen-1-yl]benzoate;ZINC05073232;MLS000571847;CHEMBL1525742;DTXSID10417342;HMS2565C06;SMSF0011585;AKOS003226066;CB01529;SMR000193862;BIM-0013031.P001;SR-01000225520;SR-01000225520-1

Chemical Property of methyl 4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzoate

Chemical Property:

• Vapor Pressure: 4.88E-09mmHg at 25°C
• Boiling Point: 470.9°Cat760mmHg
• Flash Point: 209°C
• Density: 1.177g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 296.10485899
• Heavy Atom Count: 22
• Complexity: 407

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)OC
• Isomeric SMILES: COC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)OC