2,2-Dimethyl-5-(3-Nitrobenzylidene)-1,3-Dioxane-4,6-Dione
[CAS# 16286-25-2]

Identification

• Name: 2,2-Dimethyl-5-(3-Nitrobenzylidene)-1,3-Dioxane-4,6-Dione
• Synonyms: 2,2-Dimethyl-5-(3-nitrobenzylidene)-1,3-dioxane-4,6-dione #; Malonic acid, (m-nitrobenzylidene)-, cyclic isopropylidene ester
• Molecular Formula: C₁₃H₁₁NO₆
• Molecular Weight: 277.23
• CAS Registry Number: 16286-25-2
• SMILES: O=C1OC(OC(=O)/C1=C/c2cccc([N+]([O-])=O)c2)(C)C
• InChI: 1S/C13H11NO6/c1-13(2)19-11(15)10(12(16)20-13)7-8-4-3-5-9(6-8)14(17)18/h3-7H,1-2H3
• InChIKey: QNQMAOGVJKYURH-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Melting point: 322°C (Expl.)
• Boiling point: 547.626°C at 760 mmHg (Cal.)
• Flash point: 263.747°C (Cal.)
• Refractive index: 1.602 (Cal.)