Indole-3-carboxaldehyde

• Catalog Number: ACM487898
• Product Name: Indole-3-carboxaldehyde
• CAS: 487-89-8
• Category: Indoles
• Synonyms: Indol-3-carbaldehyde
• IUPAC Name: 1H-Indole-3-carbaldehyde
• Molecular Weight: 145.16
• Molecular Formula: C9H7NO
• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C=O
• InChI: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
• InChI Key: OLNJUISKUQQNIM-UHFFFAOYSA-N
• Boiling Point: 264.27 °C
• Melting Point: 193-198 °C(lit.)
• Flash Point: 240 °C
• Density: 1.1555 g/cm³
• Solubility: Insoluble in water
• Appearance: Crystalline powder
• Storage: Store below +30 °C
• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 145.052763847
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Monoisotopic Mass: 145.052763847
• Physical State: Powder
• pKa: 15.50±0.30(Predicted)
• Refractive Index: 1.4500
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 32.9 Ų