4-Hydroxycoumarin

• CAS: 1076-38-6
• Catalog Number: ACM1076386
• Category: Inhibitors
• Molecular Weight: 162.14
• Molecular Formula: C9H6O3
• Description: 4-Hydroxycoumarin, a coumarin derivative, is one of the most versatile heterocyclic scaffolds and is frequently applied in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin derivatives are employed as the anticoagulant, antibacterial, antifungal, antiviral, antitumor, antiprotozoal, insecticidal, antimycobacterial, antimutagenic, antioxidant, anti-inflammatory agents, HIV protease inhibitors and tyrosine kinase inhibitors.
• Synonyms: Coumarinol
• IUPAC Name: 4-Hydroxychromen-2-one
• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=O)O2)O
• InChI: InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
• InChI Key: VXIXUWQIVKSKSA-UHFFFAOYSA-N
• Boiling Point: 228.82 °C
• Melting Point: 211-213 °C(lit.)
• Flash Point: 165.35 °C
• Density: 1.1734 g/cm³
• Solubility: Practically insoluble in water
• Appearance: Beige powder
• Storage: Store below +30 °C
• Complexity: 232
• Exact Mass: 162.031694049
• Monoisotopic Mass: 162.031694049
• Physical State: Liquid
• pKa: 4.50±1.00(Predicted)
• Refractive Index: 1.4500
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 46.5 Ų