2-Methyl-4-Pentenoic Acid

• CAS: 1575-74-2
• Catalog Number: ACM1575742
• Category: Other Products
• Molecular Weight: 114.14
• Molecular Formula: C6H10O2
• Synonyms: Methyl-4-pentenoic
• IUPAC Name: 2-Methylpent-4-enoic acid
• Canonical SMILES: CC(CC=C)C(=O)O
• InChI: InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
• InChI Key: HVRZYSHVZOELOH-UHFFFAOYSA-N
• Boiling Point: 195 °C(lit.)
• Melting Point: 17.3 °C
• Flash Point: 210 °F
• Density: 0.949 g/mL at 25 °C(lit.)
• Solubility: Slightly soluble in water
• Appearance: Clear liquid
• Storage: Inert atmosphere, room temperature
• Complexity: 96.7
• Exact Mass: 114.068079557
• Monoisotopic Mass: 114.068079557
• pKa: 4.67±0.10(Predicted)
• Refractive Index: n20/D 1.43(lit.)
• Topological Polar Surface Area: 37.3 Ų