4,5-Dimethoxy-2-nitrocinnamic acid

• Catalog Number: ACM20567388
• Product Name: 4,5-Dimethoxy-2-nitrocinnamic acid
• CAS: 20567-38-8
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Nitro-4,5-dimethoxy-trans-cinnamic acid
• IUPAC Name: (E)-3-(4,5-Dimethoxy-2-nitrophenyl)prop-2-enoic acid
• Molecular Weight: 253.21
• Molecular Formula: C₁₁H₁₁NO₆
• Canonical SMILES: COC1=C(C=C(C(=C1)C=CC(=O)O)[N+](=O)[O-])OC
• InChI: InChI=1S/C11H11NO6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3,(H,13,14)/b4-3+
• InChI Key: BZIRMMAJZSOLEW-ONEGZZNKSA-N
• Boiling Point: 483 °C
• Melting Point: 293 °C
• Flash Point: 246 °C
• Density: 1.369 g/mL at 25 °C(lit.)
• Exact Mass: 253.05863707
• Isomeric SMILES: COC1=C(C=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-])OC
• Monoisotopic Mass: 253.05863707
• Refractive Index: n20/D 1.53(lit.)
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 102 Ų