methyl 2,4-dimethyl-5-(3-phenylprop-2-enoyl)-1H-pyrrole-3-carboxylate

Base Information

• Chemical Name: methyl 2,4-dimethyl-5-(3-phenylprop-2-enoyl)-1H-pyrrole-3-carboxylate
• CAS No.: 304876-74-2
• Molecular Formula: C17H17 N O3
• Molecular Weight: 283.32
• DSSTox Substance ID: DTXSID401138931
• Mol file: 304876-74-2.mol

Synonyms:DTXSID401138931;304876-74-2;Methyl 2,4-dimethyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-1H-pyrrole-3-carboxylate

Chemical Property of methyl 2,4-dimethyl-5-(3-phenylprop-2-enoyl)-1H-pyrrole-3-carboxylate

Chemical Property:

• Boiling Point: 512.8±50.0 °C(Predicted)
• PKA: 14.54±0.50(Predicted)
• Density: 1.187±0.06 g/cm3(Predicted)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 283.12084340
• Heavy Atom Count: 21
• Complexity: 412

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)C=CC2=CC=CC=C2