4-Isobutylcinnamic acid

• CAS: 66734-95-0
• Catalog Number: ACM66734950
• Category: Other Products
• Molecular Weight: 204.26
• Molecular Formula: C₁₃H₁₆O₂
• Synonyms: (2E)-3-(4-Isobutylphenyl)acrylic acid
• IUPAC Name: (E)-3-[4-(2-Methylpropyl)phenyl]prop-2-enoic acid
• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C=CC(=O)O
• InChI: InChI=1S/C13H16O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-8,10H,9H2,1-2H3,(H,14,15)/b8-7+
• InChI Key: FFVQPPLMTMUAQD-BQYQJAHWSA-N
• Boiling Point: 334.0±11.0 °C
• Melting Point: 168-169 °C
• Density: 1.068±0.06 g/cm³
• Exact Mass: 204.115029749
• Isomeric SMILES: CC(C)CC1=CC=C(C=C1)/C=C/C(=O)O
• Monoisotopic Mass: 204.115029749
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 37.3 Ų