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906352-99-6

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Basic Information
CAS No.: 906352-99-6
Name: Ethyl 3-[(6-methylpyrazin-2-yl)oxy]benzoate
Molecular Structure:
Molecular Structure of 906352-99-6 (Ethyl 3-[(6-methylpyrazin-2-yl)oxy]benzoate)
Formula: C14H14N2O3
Molecular Weight: 258.27256
Synonyms: Benzoicacid, 3-[(6-methylpyrazinyl)oxy]-, ethyl ester (9CI);
Density: 1.189g/cm3
Melting Point: 50.5-51.5°C
Boiling Point: 380.9 °C at 760 mmHg
Flash Point: 184.1 °C
Hazard Symbols: Xi
Risk Codes: 41-43
Safety: 26-36/37-39
PSA: 61.31000
LogP: 2.75400
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Specification

The Benzoic acid,3-[(6-methyl-2-pyrazinyl)oxy]-, ethyl ester, with CAS registry number 906352-99-6, has the systematic name of ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate. This chemical is harmful. And the chemical formula of this chemical is C14H14N2O3.

Physical properties of Benzoic acid,3-[(6-methyl-2-pyrazinyl)oxy]-, ethyl ester: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 61.31 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 70.1 cm3; (11)Molar Volume: 217.1 cm3; (12)Polarizability: 27.79×10-24cm3; (13)Surface Tension: 47.1 dyne/cm; (14)Density: 1.189 g/cm3; (15)Flash Point: 184.1 °C; (16)Enthalpy of Vaporization: 62.91 kJ/mol; (17)Boiling Point: 380.9 °C at 760 mmHg; (18)Vapour Pressure: 5.29E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cccc(c1)Oc2cncc(n2)C
(2)InChI: InChI=1/C14H14N2O3/c1-3-18-14(17)11-5-4-6-12(7-11)19-13-9-15-8-10(2)16-13/h4-9H,3H2,1-2H3
(3)InChIKey: ALDBUDYDJSLBJO-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H14N2O3/c1-3-18-14(17)11-5-4-6-12(7-11)19-13-9-15-8-10(2)16-13/h4-9H,3H2,1-2H3
(5)Std. InChIKey: ALDBUDYDJSLBJO-UHFFFAOYSA-N