4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid

Base Information

• Chemical Name: 4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
• CAS No.: 6042-47-3
• Molecular Formula: C22H20ClNO5
• Molecular Weight: 413.8509
• DSSTox Substance ID: DTXSID20417373

Synonyms:6042-47-3;4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid;AQ-149/13890403;DTXSID20417373;PSVGLGWBDCUUCH-CZIZESTLSA-N;BIM-0043625.P001;4-[2-(4-chlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

Chemical Property of 4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid

Chemical Property:

• Vapor Pressure: 2.48E-17mmHg at 25°C
• Boiling Point: 641.5°C at 760 mmHg
• Flash Point: 341.7°C
• Density: 1.383g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 413.1030004
• Heavy Atom Count: 29
• Complexity: 675

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCC(=O)O)C3=CC=C(C=C3)Cl)O
• Isomeric SMILES: CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCC(=O)O)C3=CC=C(C=C3)Cl)/O

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