Cyclopent-4-Ene-1,2,3-Trione
[CAS# 15548-56-8]

Identification

• Name: Cyclopent-4-Ene-1,2,3-Trione
• Molecular Formula: C₅H₂O₃
• Molecular Weight: 110.07
• CAS Registry Number: 15548-56-8
• SMILES: O=C1C=CC(C1=O)=O
• InChI: 1S/C5H2O3/c6-3-1-2-4(7)5(3)8/h1-2H
• InChIKey: GSGMKOPCDJFHEF-UHFFFAOYSA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Boiling point: 235.679°C at 760 mmHg (Cal.)
• Flash point: 94.895°C (Cal.)

References

• (1): Mark A. Spackman, Joshua J. McKinnon and Dylan Jayatilaka. Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals, CrystEngComm, 2008, 10, 377.