2,4-Dimethyl-5-[(1,2-Dihydro-2-Oxo-3H-Indol-3-Ylidene)Methyl]-Pyrrole-3-Propanoic Acid
[CAS# 245036-27-5]

Identification

• Name: 2,4-Dimethyl-5-[(1,2-Dihydro-2-Oxo-3H-Indol-3-Ylidene)Methyl]-Pyrrole-3-Propanoic Acid
• Synonyms: 3-[2,4-Dimethyl-5-[(E)-(2-Oxoindolin-3-Ylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2,4-Dimethyl-5-[(E)-(2-Oxo-3-Indolinylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[5-[(E)-(2-Ketoindolin-3-Ylidene)Methyl]-2,4-Dimethyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₁₈H₁₈N₂O₃
• Molecular Weight: 310.35
• CAS Registry Number: 245036-27-5
• SMILES: C1=CC=CC3=C1C(=C\C2=C(C(=C([NH]2)C)CCC(=O)O)C)/C(N3)=O
• InChI: 1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9+
• InChIKey: NHFDRBXTEDBWCZ-NTEUORMPSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 590.477°C at 760 mmHg (Cal.)
• Flash point: 310.909°C (Cal.)