2,5-Dimethoxycinnamic acid

• CAS: 10538-51-9
• Catalog Number: ACM10538519
• Category: Other Products
• Molecular Weight: 208.21
• Molecular Formula: C₁₁H₁₂O₄
• Synonyms: (2E)-3-(2,5-Dimethoxyphenyl)acrylic acid
• IUPAC Name: (E)-3-(2,5-Dimethoxyphenyl)prop-2-enoic acid
• Canonical SMILES: COC1=CC(=C(C=C1)OC)C=CC(=O)O
• InChI: InChI=1S/C11H12O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-3+
• InChI Key: JPQWWJZORKTMIZ-ZZXKWVIFSA-N
• Boiling Point: 267.4 °C
• Melting Point: 147-150 °C
• Flash Point: 147.3ºC
• Density: 1.0627 g/mL at 25 °C(lit.)
• Appearance: yellow Solid
• EC Number: 234-114-9
• Exact Mass: 208.07355886
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Isomeric SMILES: COC1=CC(=C(C=C1)OC)/C=C/C(=O)O
• Monoisotopic Mass: 208.07355886
• Physical State: Crystalline
• Refractive Index: n20/D 1.4389(lit.)
• Safety Description: S26-S37/39
• Stability: Stable at room temperature in closed containers under normal storage and handling conditions.
• Storage Conditions: Dark and dry place,Room Temperature
• Topological Polar Surface Area: 55.8 Ų