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CAS No.: | 157763-81-0 |
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Name: | 2-BENZOOXAZOL-2-YL-2-METHYLPROPIONITRILE |
Molecular Structure: | |
Formula: | C11H10N2O |
Molecular Weight: | 186.21 |
Synonyms: | alpha,alpha-Dimethyl-2-benzoxazoleacetonitrile; |
Density: | 1.166 g/cm3 |
Melting Point: | 90.0-91.0 °C |
Boiling Point: | 303.2 °C at 760 mmHg |
Flash Point: | 137.2 °C |
PSA: | 49.82000 |
LogP: | 2.62898 |
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The 2-Benzoxazoleacetonitrile,α,α-dimethyl- is an organic compound with the formula C11H10N2O. The IUPAC name of this chemical is 2-(1,3-Benzoxazol-2-yl)-2-methylpropanenitrile. With the CAS registry number 157763-81-0, it is also named as 2-Benzooxazol-2-yl-2-methylpropionitrile. The product's category is Pharmacetical. Besides, its molecular weight is 186.21.
Physical properties about 2-Benzoxazoleacetonitrile,α,α-dimethyl- are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 49.82 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 52.78 cm3; (9)Molar Volume: 159.6 cm3; (10)Polarizability: 20.92×10-24 cm3; (11)Surface Tension: 45.9 dyne/cm; (12)Density: 1.166 g/cm3; (13)Flash Point: 137.2 °C; (14)Enthalpy of Vaporization: 54.35 kJ/mol; (15)Boiling Point: 303.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000942 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H10N2O/c1-11(2,7-12)10-13-8-5-3-4-6-9(8)14-10/h3-6H,1-2H3
(2)InChIKey: VNMKWZBURQHRLC-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C11H10N2O/c1-11(2,7-12)10-13-8-5-3-4-6-9(8)14-10/h3-6H,1-2H3
(4)Std. InChIKey: VNMKWZBURQHRLC-UHFFFAOYSA-N