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879896-54-5

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Basic Information
CAS No.: 879896-54-5
Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
Molecular Structure:
Molecular Structure of 879896-54-5 (2-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde)
Formula: C10H8N2O2
Molecular Weight: 188.18272
Synonyms: 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde;2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde 97%;5-(2-Formylphenyl)-3-methyl-1,2,4-oxadiazole
Density: 1.238g/cm3
Melting Point: 66 °C
Boiling Point: 361 °C at 760 mmHg
Flash Point: 172.1 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 55.99000
LogP: 1.85750
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Specification

The Benzaldehyde,2-(3-methyl-1,2,4-oxadiazol-5-yl)-, with CAS registry number 879896-54-5, has the systematic name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde. Its molecular weight is 188.18272. And the chemical formula of this chemical is C10H8N2O2.

Physical properties of Benzaldehyde,2-(3-methyl-1,2,4-oxadiazol-5-yl)-: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 55.99 Å2; (9)Index of Refraction: 1.584; (10)Molar Refractivity: 50.9 cm3; (11)Molar Volume: 151.9 cm3; (12)Polarizability: 20.18×10-24cm3; (13)Surface Tension: 50.8 dyne/cm; (14)Density: 1.238 g/cm3; (15)Flash Point: 172.1 °C; (16)Enthalpy of Vaporization: 60.68 kJ/mol; (17)Boiling Point: 361 °C at 760 mmHg; (18)Vapour Pressure: 2.14E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(on1)c2ccccc2C=O
(2)InChI: InChI=1/C10H8N2O2/c1-7-11-10(14-12-7)9-5-3-2-4-8(9)6-13/h2-6H,1H3
(3)InChIKey: FPQLUUWDLSUKNS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H8N2O2/c1-7-11-10(14-12-7)9-5-3-2-4-8(9)6-13/h2-6H,1H3
(5)Std. InChIKey: FPQLUUWDLSUKNS-UHFFFAOYSA-N