5,5-Dimethyl-2-[2-(4-Nitrophenyl)-2-Oxoethyl]-1,3-Cyclohexanedione
[CAS# 112404-29-2]

Identification

• Name: 5,5-Dimethyl-2-[2-(4-Nitrophenyl)-2-Oxoethyl]-1,3-Cyclohexanedione
• Molecular Formula: C₁₆H₁₇NO₅
• Molecular Weight: 303.31
• CAS Registry Number: 112404-29-2
• SMILES: O=C1C(C(=O)CC(C)(C)C1)CC(=O)c2ccc([N+]([O-])=O)cc2
• InChI: 1S/C16H17NO5/c1-16(2)8-14(19)12(15(20)9-16)7-13(18)10-3-5-11(6-4-10)17(21)22/h3-6,12H,7-9H2,1-2H3
• InChIKey: IFOJKBXDKDBZHM-UHFFFAOYSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 482.006°C at 760 mmHg (Cal.)
• Flash point: 228.328°C (Cal.)
• Refractive index: 1.545 (Cal.)