7-Hydroxy-2,5-dimethoxy-4-methylbicyclo[4.2.0]octa-1,3,5-triene-3-carbonitrile
[CAS# 807628-97-3]

Identification

• Name: 7-Hydroxy-2,5-dimethoxy-4-methylbicyclo[4.2.0]octa-1,3,5-triene-3-carbonitrile
• Synonyms: 7-hydroxy-2,5-dimethoxy-4-methylbicyclo[4.2.0]octa-1,3,5-triene-3-carbonitrile
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• CAS Registry Number: 807628-97-3
• SMILES: N#Cc1c(c(OC)c2c(c1OC)CC2O)C
• InChI: 1S/C12H13NO3/c1-6-8(5-13)12(16-3)7-4-9(14)10(7)11(6)15-2/h9,14H,4H2,1-3H3
• InChIKey: NDFCJMBTBSWYMG-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 409.496°C at 760 mmHg (Cal.)
• Flash point: 201.456°C (Cal.)
• Refractive index: 1.581 (Cal.)