3-Indolepropionic acid

• Catalog Number: ACM830966
• Product Name: 3-Indolepropionic acid
• CAS: 830-96-6
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Ppropanol
• IUPAC Name: 3-(1H-Indol-3-yl)propanoic acid
• Molecular Weight: 189.21
• Molecular Formula: C11H11NO2
• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
• InChI: InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
• InChI Key: GOLXRNDWAUTYKT-UHFFFAOYSA-N
• Boiling Point: 82 °C(lit.)
• Melting Point: 133 °C
• Flash Point: 53 °F
• Density: 0.960 g/mL at 20 °C
• Solubility: Slightly soluble in water
• Appearance: Light yellow crystalline
• Storage: Sealed in dry, room temperature
• Complexity: 217
• Exact Mass: 189.078978594
• Monoisotopic Mass: 189.078978594
• pKa: 4.77±0.10(Predicted)
• Refractive Index: n20/D 1.377(lit.)
• Topological Polar Surface Area: 53.1 Ų