7-(3-Methoxyphenyl)-7-oxoheptanenitrile
[CAS# 898786-62-4]

Identification

• Name: 7-(3-Methoxyphenyl)-7-oxoheptanenitrile
• Synonyms: 7-(3-methoxyphenyl)-7-oxoheptanenitrile
• Molecular Formula: C₁₄H₁₇NO₂
• Molecular Weight: 231.29
• CAS Registry Number: 898786-62-4
• SMILES: COc1cc(ccc1)C(=O)CCCCCC#N
• InChI: 1S/C14H17NO2/c1-17-13-8-6-7-12(11-13)14(16)9-4-2-3-5-10-15/h6-8,11H,2-5,9H2,1H3
• InChIKey: LPXWDPHWIWLRJA-UHFFFAOYSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 404.525°C at 760 mmHg (Cal.)
• Flash point: 176.935°C (Cal.)
• Refractive index: 1.509 (Cal.)