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The Oxanol, with CAS registry number 56573-79-6, has the systematic name of tetrahydro-2H-pyran-2-ol. Besides this, it is also called 2H-pyran-2-ol, tetrahydro-. And the chemical formula of this chemical is C5H10O2. What's more, its EINECS is 260-265-5.
Physical properties of Oxanol: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.36; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.15; (8)ACD/KOC (pH 7.4): 15.15; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 26.25 cm3; (15)Molar Volume: 94.4 cm3; (16)Polarizability: 10.4×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 71.4 °C; (20)Enthalpy of Vaporization: 47.37 kJ/mol; (21)Boiling Point: 170.5 °C at 760 mmHg; (22)Vapour Pressure: 0.471 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1OCCCC1
(2)InChI: InChI=1/C5H10O2/c6-5-3-1-2-4-7-5/h5-6H,1-4H2
(3)InChIKey: CELWCAITJAEQNL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H10O2/c6-5-3-1-2-4-7-5/h5-6H,1-4H2
(5)Std. InChIKey: CELWCAITJAEQNL-UHFFFAOYSA-N