Ethyl 5-(3-cyanophenyl)-5-oxopentanoate
[CAS# 898753-47-4]

Identification

• Name: Ethyl 5-(3-cyanophenyl)-5-oxopentanoate
• Synonyms: Ethyl-5-(3-cyanophenyl)-5-oxovalerate
• Molecular Formula: C₁₄H₁₅NO₃
• Molecular Weight: 245.27
• CAS Registry Number: 898753-47-4
• SMILES: N#Cc1cc(ccc1)C(=O)CCCC(=O)OCC
• InChI: 1S/C14H15NO3/c1-2-18-14(17)8-4-7-13(16)12-6-3-5-11(9-12)10-15/h3,5-6,9H,2,4,7-8H2,1H3
• InChIKey: AMBOXCSSYZUWSR-UHFFFAOYSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 401.866°C at 760 mmHg (Cal.)
• Flash point: 175.783°C (Cal.)
• Refractive index: 1.522 (Cal.)