| Identification | |
| Name: | Benzoic acid,3-(5-ethyl-1,2,4-oxadiazol-3-yl)- |
| Synonyms: | Benzoic acid, 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-; |
| CAS: | 859155-81-0 |
| Molecular Formula: | C11H10N2O3 |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C11H10N2O3/c1-2-9-12-10(13-16-9)7-4-3-5-8(6-7)11(14)15/h3-6H,2H2,1H3,(H,14,15) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.288 g/cm3 |
| Refractive index: | 1.573 |
| Specification: |
The 3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid, with the CAS registry number 859155-81-0, is also called Benzoic acid, 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-. And the molecular formula of the chemical is C11H10N2O3. The characteristics of this chemical are as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 76.22 Å2; (8)Index of Refraction: 1.573; (9)Molar Refractivity: 55.8 cm3; (10)Molar Volume: 169.3 cm3; (11)Polarizability: 22.12×10-24cm3; (12)Surface Tension: 55.2 dyne/cm; (13)Density: 1.288 g/cm3; (14)Flash Point: 214.9 °C; (15)Enthalpy of Vaporization: 72.47 kJ/mol; (16)Boiling Point: 431.8 °C at 760 mmHg; (17)Vapour Pressure: 3.19E-08 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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