trans-3-Ethoxycinnamic acid

• Catalog Number: ACM103986738
• Product Name: trans-3-Ethoxycinnamic acid
• CAS: 103986-73-8
• Category: Heterocyclic Organic Compound
• Synonyms: 3-Ethoxycinnamic acid,predominantly trans
• IUPAC Name: (E)-3-(3-Ethoxyphenyl)prop-2-enoic acid
• Molecular Weight: 192.21
• Molecular Formula: C₁₁H₁₂O₃
• Canonical SMILES: CCOC1=CC=CC(=C1)C=CC(=O)O
• InChI: InChI=1S/C11H12O3/c1-2-14-10-5-3-4-9(8-10)6-7-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b7-6+
• InChI Key: DOEYODSOYOGJQH-VOTSOKGWSA-N
• Boiling Point: 341.6±17.0 °C
• Melting Point: 131-133 °C
• Flash Point: 133.8ºC
• Density: 1.161±0.06 g/cm³
• Exact Mass: 192.078644241
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Isomeric SMILES: CCOC1=CC=CC(=C1)/C=C/C(=O)O
• Monoisotopic Mass: 192.078644241
• Safety Description: S26-S36
• Topological Polar Surface Area: 46.5 Ų
• WGK Germany: 3