3-Cyanocinnamic acid

• CAS: 16642-93-6
• Catalog Number: ACM16642936
• Category: Other Products
• Molecular Weight: 173.17
• Molecular Formula: C₁₀H₇NO₂
• Synonyms: 3-(3-Cyanophenyl)acrylic acid
• IUPAC Name: (E)-3-(3-Cyanophenyl)prop-2-enoic acid
• Canonical SMILES: C1=CC(=CC(=C1)C#N)C=CC(=O)O
• InChI: InChI=1S/C10H7NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-6H,(H,12,13)/b5-4+
• InChI Key: WEYFZKRRQZYAJI-SNAWJCMRSA-N
• Boiling Point: 357.9±25.0 °C
• Density: 1.26±0.1 g/cm³
• Exact Mass: 173.047678466
• Isomeric SMILES: C1=CC(=CC(=C1)C#N)/C=C/C(=O)O
• Monoisotopic Mass: 173.047678466
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 61.1 Ų