4-[[4-Hydroxy-3-[1-Oxo-3-[3-(Trifluoromethyl)Phenyl]Allyl]Phenyl]Amino]-4-Oxobutyric Acid
[CAS# 94094-55-0]

Identification

• Name: 4-[[4-Hydroxy-3-[1-Oxo-3-[3-(Trifluoromethyl)Phenyl]Allyl]Phenyl]Amino]-4-Oxobutyric Acid
• Synonyms: 4-[[4-Hydroxy-3-[(E)-3-[3-(Trifluoromethyl)Phenyl]Prop-2-Enoyl]Phenyl]Amino]-4-Oxo-Butanoic Acid; 4-[[4-Hydroxy-3-[(E)-1-Oxo-3-[3-(Trifluoromethyl)Phenyl]Prop-2-Enyl]Phenyl]Amino]-4-Oxobutanoic Acid; 4-[[4-Hydroxy-3-[(E)-3-[3-(Trifluoromethyl)Phenyl]Acryloy
• Molecular Formula: C₂₀H₁₆F₃NO₅
• Molecular Weight: 407.35
• CAS Registry Number: 94094-55-0
• EINECS: 302-157-3
• SMILES: C1=C(NC(=O)CCC(=O)O)C=CC(=C1C(=O)\C=C\C2=CC(=CC=C2)C(F)(F)F)O
• InChI: 1S/C20H16F3NO5/c21-20(22,23)13-3-1-2-12(10-13)4-6-16(25)15-11-14(5-7-17(15)26)24-18(27)8-9-19(28)29/h1-7,10-11,26H,8-9H2,(H,24,27)(H,28,29)/b6-4+
• InChIKey: YQDHPVFGGUCTPQ-GQCTYLIASA-N

Properties

• Density: 1.442g/cm³ (Cal.)
• Boiling point: 659.419°C at 760 mmHg (Cal.)
• Flash point: 352.604°C (Cal.)