3-Chlorocinnamaldehyde

• CAS: 56578-37-1
• Catalog Number: ACM56578371
• Category: Other Products
• Molecular Weight: 166.6
• Molecular Formula: C9H7ClO
• Synonyms: (2E)-3-(3-Chlorophenyl)acrylaldehyde
• IUPAC Name: (E)-3-(3-Chlorophenyl)prop-2-enal
• Canonical SMILES: C1=CC(=CC(=C1)Cl)C=CC=O
• InChI: InChI=1S/C9H7ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
• InChI Key: GTQLBYROWRZDHS-DUXPYHPUSA-N
• Boiling Point: 106-120 °C
• Melting Point: 39 °C
• Density: 1.192±0.06 g/cm³
• Exact Mass: 166.0185425
• Isomeric SMILES: C1=CC(=CC(=C1)Cl)/C=C/C=O
• Monoisotopic Mass: 166.0185425
• Physical State: Liquid
• Storage Conditions: Inert atmosphere,under -20 °C
• Topological Polar Surface Area: 17.1 Ų