3-[[2-Acetamido-3-(4-Methoxyphenyl)Prop-2-Enoyl]Amino]Propanoic Acid
[CAS# 172798-50-4]

Identification

• Name: 3-[[2-Acetamido-3-(4-Methoxyphenyl)Prop-2-Enoyl]Amino]Propanoic Acid
• Synonyms: 3-[[(Z)-2-Acetamido-3-(4-Methoxyphenyl)Prop-2-Enoyl]Amino]Propanoic Acid; 3-[[2-Acetamido-3-(4-Methoxyphenyl)-1-Oxoprop-2-Enyl]Amino]Propanoic Acid; 3-[[(Z)-2-Acetamido-3-(4-Methoxyphenyl)-1-Oxoprop-2-Enyl]Amino]Propanoic Acid
• Molecular Formula: C₁₅H₁₈N₂O₅
• Molecular Weight: 306.32
• CAS Registry Number: 172798-50-4
• SMILES: C1=C(/C=C(/C(NCCC(O)=O)=O)NC(C)=O)C=CC(=C1)OC
• InChI: 1S/C15H18N2O5/c1-10(18)17-13(15(21)16-8-7-14(19)20)9-11-3-5-12(22-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)/b13-9-
• InChIKey: XBJBLALDXSAKCQ-LCYFTJDESA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 689.786°C at 760 mmHg (Cal.)
• Flash point: 370.969°C (Cal.)