3(2H)-Benzofuranone (7169-34-8)

The 2H-Benzofuran-3-one with the CAS number 7169-34-8 is also called 3(2H)-Benzofuranone. The IUPAC name is 1-benzofuran-3-one. Its molecular formula is C₈H₆O₂. This chemical belongs to the following product categories: (1)pharmacetical; (2)Furan&Benzofuran; (3)Fused Ring Systems. It is senstive to light.

The properties of the chemical are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.427; (4)ACD/LogD (pH 7.4): 1.427; (5)ACD/BCF (pH 5.5): 7.15; (6)ACD/BCF (pH 7.4): 7.15; (7)ACD/KOC (pH 5.5): 142.274; (8)ACD/KOC (pH 7.4): 142.274; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 35.551 cm³; (15)Molar Volume: 106.065 cm³; (16)Polarizability: 14.094×10^-24cm³; (17)Surface Tension: 47.165 dyne/cm; (18)Enthalpy of Vaporization: 48.688 kJ/mol; (19)Vapour Pressure: 0.023 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection. Finally, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(=O)CO2
(2)InChI: InChI=1/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
(3)InChIKey: MGKPCLNUSDGXGT-UHFFFAOYAB