6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol,6a,12a-dihydro-, (6aR,12aR)-rel- (19908-48-6)

The Maackiain, with the CAS registry number 19908-48-6, has the systematic name of 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-, cis-(+-)-.

The physical properties of this chemical are as below: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 77.3; (6)ACD/BCF (pH 7.4): 76.62; (7)ACD/KOC (pH 5.5): 781.91; (8)ACD/KOC (pH 7.4): 775.03; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.15; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 72.32 cm³; (15)Molar Volume: 192 cm³; (16)Polarizability: 28.67 ×10^-24 cm³; (17)Surface Tension: 69.9 dyne/cm; (18)Density: 1.48 g/cm³; (19)Flash Point: 217.6 °C; (20)Enthalpy of Vaporization: 71.93 kJ/mol; (21)Boiling Point: 436.2 °C at 760 mmHg; (22)Vapour Pressure: 3.23E-08 mmHg at 25°C; (23)Exact Mass: 284.068473; (24)MonoIsotopic Mass: 284.068473; (25)Topological Polar Surface Area: 57.2; (26)Heavy Atom Count: 21; (27)Complexity: 416.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
(2)Isomeric SMILES: C1[C@H]2[C@@H](C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
(3)InChI: InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1
(4)InChIKey: HUKSJTUUSUGIDC-BDJLRTHQSA-N