The Benzonitrile,2-(2-oxiranylmethoxy)- is an organic compound with the molecular formula C10H9NO2. Its CAS registry number is 38465-16-6. Its IUPAC name is called 2-(Oxiran-2-ylmethoxy)benzonitrile. What's more, this chemical's molecular weight is 175.18.
Physical properties about Benzonitrile,2-(2-oxiranylmethoxy)- are: (1)ACD/LogP: 1.39; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 151; (8)ACD/KOC (pH 7.4): 151; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.55 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 46.626 cm3; (15)Molar Volume: 143.665 cm3; (16)Polarizability: 18.484×10-24 cm3; (17)Surface Tension: 49.263 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 141.859 °C; (20)Enthalpy of Vaporization: 57.848 kJ/mol; (21)Boiling Point: 335.423 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2ccccc2OCC1CO1
(2) InChI: InChI=1/C10H9NO2/c11-5-8-3-1-2-4-10(8)13-7-9-6-12-9/h1-4,9H,6-7H2
(3) InChIKey: BIJYXIOVXFBJEP-UHFFFAOYAE
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