5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid

Base Information

• Chemical Name: 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
• CAS No.: 6116-62-7
• Molecular Formula: C26H23N3O5
• Molecular Weight: 457.4779
• DSSTox Substance ID: DTXSID20363462

Synonyms:6116-62-7;DTXSID20363462;5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid

Chemical Property of 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 2.68E-25mmHg at 25°C
• Boiling Point: 775.3°Cat760mmHg
• Flash Point: 422.7°C
• Density: 1.26g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 457.16377084
• Heavy Atom Count: 34
• Complexity: 832

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC(=CC(=C3)C(=O)O)C(=O)O)C)C#N

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