9-Oxabicyclo[6.1.0]non-4-ene,(1R,8S)-rel- (19740-90-0)

The (1R,8S)-rel-9-Oxabicyclo[6.1.0]non-4-ene, with the cas registry number 19740-90-0, has the systematic name of (1R,4Z,8S)-9-oxabicyclo[6.1.0]non-4-ene. And the molecular formula of the chemical is C₈H₁₂O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.53 Å²; (7)Index of Refraction: 1.49; (8)Molar Refractivity: 36.15 cm³; (9)Molar Volume: 125 cm³; (10)Polarizability: 14.33×10^-24cm³; (11)Surface Tension: 35.4 dyne/cm; (12)Density: 0.993 g/cm³; (13)Flash Point: 54.3 °C; (14)Enthalpy of Vaporization: 39.74 kJ/mol; (15)Boiling Point: 178.1 °C at 760 mmHg; (16)Vapour Pressure: 1.36 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1[C@@H]2CC\C=C/CC[C@H]12
(2)InChI: InChI=1/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2/b2-1-/t7-,8+
(3)InChIKey: YWFPXWMSGJXUFS-VMPVEFHEBP