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CAS No.: | 19740-90-0 |
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Name: | (1R,8S)-rel-9-Oxabicyclo[6.1.0]non-4-ene |
Article Data: | 50 |
Molecular Structure: | |
Formula: | C8H12O |
Molecular Weight: | 124.183 |
Synonyms: | 9-Oxabicyclo[6.1.0]non-4-ene,(1a,8a)-;9-Oxabicyclo[6.1.0]non-4-ene, (Z)-cis- (8CI);1,2-Epoxy-cis-cyclooct-5-ene;5,6-Epoxy-cis-cyclooctene;5,6-Epoxycyclooctene; |
Density: | 0.993 g/cm3 |
Boiling Point: | 178.1 °C at 760 mmHg |
Flash Point: | 54.3 °C |
PSA: | 12.53000 |
LogP: | 1.88400 |
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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