3-Indoleacrylic acid

• Catalog Number: ACM1204064
• Product Name: 3-Indoleacrylic acid
• CAS: 1204-06-4
• Category: Heterocyclic Organic Compound
• Synonyms: Indole-3-acrylic
• IUPAC Name: (E)-3-(1H-Indol-3-yl)prop-2-enoic acid
• Molecular Weight: 187.19
• Molecular Formula: C11H9NO2
• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O
• InChI: InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
• InChI Key: PLVPPLCLBIEYEA-AATRIKPKSA-N
• Boiling Point: 321.94 °C
• Melting Point: 185 °C(lit.)
• Flash Point: 215.6 °C
• Density: 1.1963 g/cm³
• Solubility: Freely soluble in water
• Appearance: White to light yellow powder
• Storage: Room temperature
• Complexity: 250
• Exact Mass: 187.063328530
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O
• Monoisotopic Mass: 187.063328530
• pKa: 4.59±0.10(Predicted)
• Refractive Index: 1.665
• Topological Polar Surface Area: 53.1 Ų