2-Chlorocinnamic acid

• Catalog Number: ACM3752258
• Product Name: 2-Chlorocinnamic acid
• CAS: 3752-25-8
• Category: Heterocyclic Organic Compound
• Synonyms: 3-(2-Chlorophenyl)prop-2-enoic acid
• IUPAC Name: (E)-3-(2-Chlorophenyl)prop-2-enoic acid
• Molecular Weight: 182.6
• Molecular Formula: C9H7ClO2
• Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)Cl
• InChI: InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
• InChI Key: KJRRTHHNKJBVBO-AATRIKPKSA-N
• Boiling Point: 260.71 °C
• Melting Point: 208-210 °C
• Density: 1.2377 g/mL at 25 °C(lit.)
• Exact Mass: 182.0134572
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)Cl
• Monoisotopic Mass: 182.0134572
• Physical State: Crystalline
• Refractive Index: n20/D 1.5426(lit.)
• Storage Conditions: Room Temperature
• Topological Polar Surface Area: 37.3 Ų