3-[3-(1,3-Dioxan-2-yl)propanoyl]benzonitrile
[CAS# 898756-70-2]

Identification

• Name: 3-[3-(1,3-Dioxan-2-yl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(1,3-dioxan-2-yl)propiophenone
• Molecular Formula: C₁₄H₁₅NO₃
• Molecular Weight: 245.27
• CAS Registry Number: 898756-70-2
• SMILES: N#Cc1cccc(c1)C(=O)CCC2OCCCO2
• InChI: 1S/C14H15NO3/c15-10-11-3-1-4-12(9-11)13(16)5-6-14-17-7-2-8-18-14/h1,3-4,9,14H,2,5-8H2
• InChIKey: XPIWAIAJDKHREO-UHFFFAOYSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 407.095°C at 760 mmHg (Cal.)
• Flash point: 178.046°C (Cal.)
• Refractive index: 1.546 (Cal.)