6-(3-Acetyl-4-Hydroxy-5-Oxo-2-Phenyl-2,5-Dihydro-1H-Pyrrol-1-Yl)Hexanoic Acid
[CAS# 220128-08-5]

Identification

• Name: 6-(3-Acetyl-4-Hydroxy-5-Oxo-2-Phenyl-2,5-Dihydro-1H-Pyrrol-1-Yl)Hexanoic Acid
• Synonyms: 1H-PYRROLE-1-HEXANOICACID, 3-ACETYL-2,5-DIHYDRO-4-HYDROXY-5-OXO-2-PHENYL-; 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
• Molecular Formula: C₁₈H₂₁NO₅
• Molecular Weight: 331.36
• CAS Registry Number: 220128-08-5
• SMILES: O=C(/C1=C(\O)C(=O)N(CCCCCC(=O)O)C1c2ccccc2)C
• InChI: 1S/C18H21NO5/c1-12(20)15-16(13-8-4-2-5-9-13)19(18(24)17(15)23)11-7-3-6-10-14(21)22/h2,4-5,8-9,16,23H,3,6-7,10-11H2,1H3,(H,21,22)
• InChIKey: IINIQSYJRNTYTO-UHFFFAOYSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 612.921°C at 760 mmHg (Cal.)
• Flash point: 324.483°C (Cal.)
• Refractive index: 1.59 (Cal.)