4-[3-(1,3-Dioxan-2-yl)propanoyl]benzonitrile
[CAS# 898756-72-4]

Identification

• Name: 4-[3-(1,3-Dioxan-2-yl)propanoyl]benzonitrile
• Synonyms: 4'-Cyano-3-(1,3-dioxan-2-yl)propiophenone
• Molecular Formula: C₁₄H₁₅NO₃
• Molecular Weight: 245.27
• CAS Registry Number: 898756-72-4
• SMILES: N#Cc1ccc(cc1)C(=O)CCC2OCCCO2
• InChI: 1S/C14H15NO3/c15-10-11-2-4-12(5-3-11)13(16)6-7-14-17-8-1-9-18-14/h2-5,14H,1,6-9H2
• InChIKey: SCWUNZOODGSQCA-UHFFFAOYSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 427.147°C at 760 mmHg (Cal.)
• Flash point: 186.647°C (Cal.)
• Refractive index: 1.546 (Cal.)