trans-2-Methyl-2-pentenoic acid

• CAS: 16957-70-3
• Catalog Number: ACM16957703
• Category: Other Products
• Molecular Weight: 114.14
• Molecular Formula: C6H10O2
• Synonyms: Strawberriff
• IUPAC Name: (E)-2-Methylpent-2-enoic acid
• Canonical SMILES: CCC=C(C)C(=O)O
• InChI: InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
• InChI Key: JJYWRQLLQAKNAD-SNAWJCMRSA-N
• Boiling Point: 123-125 °C/30 mmHg(lit.)
• Melting Point: 26-28 °C(lit.)
• Flash Point: 226 °F
• Density: 0.979 g/mL at 25 °C
• Solubility: Insoluble in water
• Appearance: Clear liquid
• Storage: Sealed in dry, room temperature
• Complexity: 114
• Exact Mass: 114.068079557
• Isomeric SMILES: CC/C=C(\C)/C(=O)O
• Monoisotopic Mass: 114.068079557
• pKa: 5.00±0.19(Predicted)
• Refractive Index: n20/D 1.46(lit.)
• Topological Polar Surface Area: 37.3 Ų