(3E)-3-(1-Hydroxyethylidene)-2,4-Pyrrolidinedione
[CAS# 159770-37-3]

Identification

• Name: (3E)-3-(1-Hydroxyethylidene)-2,4-Pyrrolidinedione
• Molecular Formula: C₆H₇NO₃
• Molecular Weight: 141.12
• CAS Registry Number: 159770-37-3
• SMILES: O=C/1CNC(=O)C\1=C(/O)C
• InChI: 1S/C6H7NO3/c1-3(8)5-4(9)2-7-6(5)10/h8H,2H2,1H3,(H,7,10)/b5-3+
• InChIKey: BYUZBAOKELNBDP-HWKANZROSA-N

Properties

• Density: 1.402g/cm³ (Cal.)
• Boiling point: 393.605°C at 760 mmHg (Cal.)
• Flash point: 191.846°C (Cal.)
• Refractive index: 1.558 (Cal.)

References

• (1): Over et al.. Natural-product-derived fragments for fragment-based ligand discovery, Nature Chemistry, 2012