Ethyl 5-(4-methoxy-3-nitrophenyl)-5-oxopentanoate
[CAS# 898758-91-3]

Identification

• Name: Ethyl 5-(4-methoxy-3-nitrophenyl)-5-oxopentanoate
• Synonyms: Ethyl 5-(4-methoxy-3-nitrophenyl)-5-oxovalerate
• Molecular Formula: C₁₄H₁₇NO₆
• Molecular Weight: 295.29
• CAS Registry Number: 898758-91-3
• SMILES: COc1ccc(cc1[N+]([O-])=O)C(=O)CCCC(=O)OCC
• InChI: 1S/C14H17NO6/c1-3-21-14(17)6-4-5-12(16)10-7-8-13(20-2)11(9-10)15(18)19/h7-9H,3-6H2,1-2H3
• InChIKey: FMWAGIKATUTDAR-UHFFFAOYSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 439.929°C at 760 mmHg (Cal.)
• Flash point: 183.758°C (Cal.)
• Refractive index: 1.525 (Cal.)