Ethyl 5-(4-cyanophenyl)-5-oxopentanoate
[CAS# 898753-50-9]

Identification

• Name: Ethyl 5-(4-cyanophenyl)-5-oxopentanoate
• Synonyms: Ethyl-5-(4-cyanophenyl)-5-oxovalerate
• Molecular Formula: C₁₄H₁₅NO₃
• Molecular Weight: 245.27
• CAS Registry Number: 898753-50-9
• SMILES: N#Cc1ccc(cc1)C(=O)CCCC(=O)OCC
• InChI: 1S/C14H15NO3/c1-2-18-14(17)5-3-4-13(16)12-8-6-11(10-15)7-9-12/h6-9H,2-5H2,1H3
• InChIKey: WORHUHARWTUEFK-UHFFFAOYSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 407.466°C at 760 mmHg (Cal.)
• Flash point: 178.207°C (Cal.)
• Refractive index: 1.522 (Cal.)