3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid supplier

Name
3-(5-ETHYL-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID
EINECS
CAS No. 859155-81-0
Density 1.288 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀N₂O₃
Boiling Point 431.8 °C at 760 mmHg
Molecular Weight 218.212
Flash Point 214.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-;
PSA 76.22000
LogP 1.99720

3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid 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:
(1)SMILES: OC(=O)c1cccc(c1)c2nc(CC)on2
(2)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)
(3)InChIKey: ZUEUZEBBRRWMHB-UHFFFAOYAD

Product Name

3-(5-ETHYL-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID

3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid Specification

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