The Isofraxidin, with the CAS registry number 486-21-5, has the systematic name of 7-hydroxy-6,8-dimethoxy-2H-chromen-2-one. It is also called 7-hydroxy-6,8-dimethoxychromen-2-one, and belongs to the product category of Coumarins. And the molecular formula of the chemical is C₁₁H₁₀O₅.

The characteristics of Isofraxidin are as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 5.85; (6)ACD/BCF (pH 7.4): 4.52; (7)ACD/KOC (pH 5.5): 123.14; (8)ACD/KOC (pH 7.4): 95.07; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 55 cm³; (15)Molar Volume: 163.5 cm³; (16)Polarizability: 21.8×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.358 g/cm³; (19)Flash Point: 183.2 °C; (20)Enthalpy of Vaporization: 73.86 kJ/mol; (21)Boiling Point: 452.1 °C at 760 mmHg; (22)Vapour Pressure: 8.58E-09 mmHg at 25°C.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C/2Oc1c(OC)c(O)c(OC)cc1\C=C\2
(2)InChI: InChI=1/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3
(3)InChIKey: HOEVRHHMDJKUMZ-UHFFFAOYAN

The toxicity data is as follows: