2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid (117621-06-4)

The 2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid with the cas number 117621-06-4, is also called 3-furancarboxylic acid, tetrahydro-2-(2-methoxyphenyl)-5-oxo-.The properties of the chemical are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): -2.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 57.41 cm³; (15)Molar Volume:  176.6 cm³; (16)Polarizability: 22.76×10^-24cm³; (17)Surface Tension:  52.9 dyne/cm; (18)Enthalpy of Vaporization:  78.3 kJ/mol; (19)Vapour Pressure:  5.47×10^-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:(1)Irritating to eyes, respiratory system and skin; (2)Do not breathe dust; (3)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (4)Wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(c1c(OC)cccc1)C(C(=O)O)C2
(2)InChI: InChI=1/C12H12O5/c1-16-9-5-3-2-4-7(9)11-8(12(14)15)6-10(13)17-11/h2-5,8,11H,6H2,1H3,(H,14,15)