Ethyl 7-(4-methoxy-3-nitrophenyl)-7-oxoheptanoate
[CAS# 898758-95-7]

Identification

• Name: Ethyl 7-(4-methoxy-3-nitrophenyl)-7-oxoheptanoate
• Synonyms: Ethyl 7-(4-methoxy-3-nitrophenyl)-7-oxoheptanoate
• Molecular Formula: C₁₆H₂₁NO₆
• Molecular Weight: 323.34
• CAS Registry Number: 898758-95-7
• SMILES: COc1ccc(cc1[N+]([O-])=O)C(=O)CCCCCC(=O)OCC
• InChI: 1S/C16H21NO6/c1-3-23-16(19)8-6-4-5-7-14(18)12-9-10-15(22-2)13(11-12)17(20)21/h9-11H,3-8H2,1-2H3
• InChIKey: KBPZCNKTTQSXIB-UHFFFAOYSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 450.05°C at 760 mmHg (Cal.)
• Flash point: 175.691°C (Cal.)
• Refractive index: 1.518 (Cal.)