5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-pentanone
[CAS# 898786-36-2]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-pentanone
• Synonyms: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-nitrovalerophenone
• Molecular Formula: C₁₇H₂₃NO₅
• Molecular Weight: 321.37
• CAS Registry Number: 898786-36-2
• SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C17H23NO5/c1-17(2)11-22-16(23-12-17)6-4-3-5-15(19)13-7-9-14(10-8-13)18(20)21/h7-10,16H,3-6,11-12H2,1-2H3
• InChIKey: GCZVGKRQBANNGE-UHFFFAOYSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 440.473°C at 760 mmHg (Cal.)
• Flash point: 168.987°C (Cal.)
• Refractive index: 1.512 (Cal.)