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921938-57-0

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Basic Information
CAS No.: 921938-57-0
Name: Methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
Molecular Structure:
Molecular Structure of 921938-57-0 (Methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate)
Formula: C11H10N2O3
Molecular Weight: 218.2087
Synonyms: Methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate;Methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate 97%
Density: 1.225 g/cm3
Melting Point: 94-96°C
Boiling Point: 371.2 °C at 760 mmHg
Flash Point: 178.3 °C
PSA: 65.22000
LogP: 1.83160
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Specification

The Benzoicacid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester, with CAS registry number 921938-57-0, has the systematic name of methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate. This chemical is harmful. And the chemical formula of this chemical is C11H10N2O3.

Physical properties of Benzoicacid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 65.22 Å2; (9)Index of Refraction: 1.54; (10)Molar Refractivity: 55.92 cm3; (11)Molar Volume: 178.1 cm3; (12)Polarizability: 22.17×10-24cm3; (13)Surface Tension: 46.5 dyne/cm; (14)Density: 1.225 g/cm3; (15)Flash Point: 178.3 °C; (16)Enthalpy of Vaporization: 61.82 kJ/mol; (17)Boiling Point: 371.2 °C at 760 mmHg; (18)Vapour Pressure: 1.05E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(on1)c2cccc(c2)C(=O)OC
(2)InChI: InChI=1/C11H10N2O3/c1-7-12-10(16-13-7)8-4-3-5-9(6-8)11(14)15-2/h3-6H,1-2H3
(3)InChIKey: RCWCQJAHRPNWBF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H10N2O3/c1-7-12-10(16-13-7)8-4-3-5-9(6-8)11(14)15-2/h3-6H,1-2H3
(5)Std. InChIKey: RCWCQJAHRPNWBF-UHFFFAOYSA-N