Lup-20(29)-Ene-1,3-Dione
[CAS# 6610-60-2]

Identification

• Name: Lup-20(29)-Ene-1,3-Dione
• Molecular Formula: C₁₈H₁₃ClN₂O₃S
• Molecular Weight: 372.83
• CAS Registry Number: 6610-60-2
• SMILES: C1=CC2=C(C=C1)N=C(N(C2=O)C3=C(C=CC=C3)Cl)SC4CCOC4=O
• InChI: 1S/C18H13ClN2O3S/c19-12-6-2-4-8-14(12)21-16(22)11-5-1-3-7-13(11)20-18(21)25-15-9-10-24-17(15)23/h1-8,15H,9-10H2
• InChIKey: FCXKBMUNDHKOFN-UHFFFAOYSA-N

Properties

• Density: 1.5g/cm³ (Cal.)
• Boiling point: 605.803°C at 760 mmHg (Cal.)
• Flash point: 320.178°C (Cal.)