Homovanillic Acid

• Catalog Number: ACM306081
• Product Name: Homovanillic Acid
• CAS: 306-08-1
• Category: Heterocyclic Organic Compound
• Synonyms: 4-Hydroxy-3-methoxybenzeneacetic acid
• IUPAC Name: 2-(4-Hydroxy-3-methoxyphenyl)acetic acid
• Molecular Weight: 182.17
• Molecular Formula: C9H10O4
• Canonical SMILES: COC1=C(C=CC(=C1)CC(=O)O)O
• InChI: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
• InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N
• Boiling Point: 235.56 °C
• Melting Point: 142-145 °C(lit.)
• Flash Point: 151.9 °C
• Density: 1.1634 g/cm³
• Solubility: Soluble in water
• Appearance: Crystalline powder
• Storage: Keep in dark place, sealed in dry, room temperature
• Complexity: 181
• Exact Mass: 182.05790880
• Hazard Statements: Xi
• Monoisotopic Mass: 182.05790880
• pKa: 4.39±0.10(Predicted)
• Refractive Index: 1.4209
• Safety Description: 26-36
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 66.8 Ų