Hydroferulic acid

• Catalog Number: ACM1135235
• Product Name: Hydroferulic acid
• CAS: 1135-23-5
• Category: Heterocyclic Organic Compound
• Synonyms: 3-Methoxyphloretic acid
• IUPAC Name: 3-(4-Hydroxy-3-methoxyphenyl)propionic acid
• Molecular Weight: 196.2
• Molecular Formula: C₁₀H₁₂O₄
• Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)O)O
• InChI: InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
• InChI Key: BOLQJTPHPSDZHR-UHFFFAOYSA-N
• Boiling Point: 120-130 °C
• Melting Point: 87-93 °C
• Flash Point: 151.1ºC
• Density: 1.259±0.06 g/cm³
• Solubility: Soluble in dimethyl sulfoxide and methanol
• EC Number: 214-489-5
• Exact Mass: 196.07355886
• Hazard Statements: Xn
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Monoisotopic Mass: 196.07355886
• Safety Description: S26-S36
• Topological Polar Surface Area: 66.8 Ų
• WGK Germany: 2