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The 3(2H)-Benzofuranone,6-methoxy- with CAS registry number of 15832-09-4 is also named 6-Methoxy-3(2H)-benzofuranone, 5-Fluoro-3-Benzofuranone or 6-Methoxycoumaran-3-one. The systematic name is 6-Methoxy-1-benzofuran-3(2H)-one. In addition, the formula is C9H8O3 and the molecular weight is 164.16.
Physical properties about this chemical are:(1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.58; (6)ACD/BCF (pH 7.4): 7.58; (7)ACD/KOC (pH 5.5): 148.33; (8)ACD/KOC (pH 7.4): 148.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 42.22 cm3; (15)Molar Volume: 130 cm3; (16)Polarizability: 16.74×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 134.1 °C; (20)Enthalpy of Vaporization: 55.41 kJ/mol; (21)Boiling Point: 313 °C at 760 mmHg; (22)Vapour Pressure: 0.000509 mmHg at 25 °C.
Uses of 3(2H)-Benzofuranone,6-methoxy-: it is used to produce 2-Benzylidene-6-methoxy-benzofuran-3-one by reacting with Benzaldehyde. The reaction occurs with reagent 10 percent ethanolic KOH and solvent ethanol for 2 hours. The yield is 65%.
You can still convert the following datas into molecular structure:
1. SMILES: O=C1c2ccc(OC)cc2OC1
2. InChI: InChI=1/C9H8O3/c1-11-6-2-3-7-8(10)5-12-9(7)4-6/h2-4H,5H2,1H3
3. InChIKey: BLLMRPOVMOPQKC-UHFFFAOYAQ
4. Std. InChI: InChI=1S/C9H8O3/c1-11-6-2-3-7-8(10)5-12-9(7)4-6/h2-4H,5H2,1H3
5. Std. InChIKey: BLLMRPOVMOPQKC-UHFFFAOYSA-N