The Isogospherol, with CAS registry number 53319-52-1, has the systematic name of 9-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one. Its molecular weight is 286.2794. And the chemical formula of this chemical is C16H14O5.
Physical properties of Isogospherol: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 57.9 Å2; (7)Index of Refraction: 1.62; (8)Molar Refractivity: 76.18 cm3; (9)Molar Volume: 216.8 cm3; (10)Polarizability: 30.2×10-24cm3; (11)Surface Tension: 53 dyne/cm; (12)Density: 1.32 g/cm3; (13)Flash Point: 255.1 °C; (14)Enthalpy of Vaporization: 80.7 kJ/mol; (15)Boiling Point: 498.2 °C at 760 mmHg; (16)Vapour Pressure: 9.6E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/3Oc2c(OCC(O)C(=C)\C)c1occc1cc2\C=C\3
(2)InChI: InChI=1/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3
(3)InChIKey: RTUPRHIHXSAWDP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3
(5)Std. InChIKey: RTUPRHIHXSAWDP-UHFFFAOYSA-N
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