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286-48-6

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Basic Information
CAS No.: 286-48-6
Name: 3,5,8-Trioxabicyclo[5.1.0]octane
Molecular Structure:
Molecular Structure of 286-48-6 (3,5,8-Trioxabicyclo[5.1.0]octane)
Formula: C5H8O3
Molecular Weight: 116.117
Density: 1.208 g/cm3
Boiling Point: 169 °C at 760 mmHg
Flash Point: 52.8 °C
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Specification

The CAS registry number of 3,5,8-Trioxabicyclo[5.1.0]octane is 286-48-6. This chemical's molecular formula is C5H8O3 and molecular weight is 116.05. What's more, its systematic name is the same as the product name.

Physical properties about 3,5,8-Trioxabicyclo[5.1.0]octane are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.48; (5)ACD/KOC (pH 7.4): 13.48; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 30.99 Å2; (10)Index of Refraction: 1.452; (11)Molar Refractivity: 25.92 cm3; (12)Molar Volume: 96 cm3; (13)Surface Tension: 40.7 dyne/cm; (14)Density: 1.208 g/cm3; (15)Flash Point: 52.8 °C; (16)Enthalpy of Vaporization: 38.88 kJ/mol; (17)Boiling Point: 169 °C at 760 mmHg; (18)Vapour Pressure: 2.08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1C2COCOCC12
(2) InChI: InChI=1S/C5H8O3/c1-4-5(8-4)2-7-3-6-1/h4-5H,1-3H2
(3) InChIKey: XYYAFYBVUUMOTF-UHFFFAOYSA-N