| Identification | |
| Name: | 4-Oxazolecarboxylicacid, 2-methyl-, ethyl ester |
| Synonyms: | 2-Methyloxazole-4-carboxylicacid ethyl ester;2-methyl oxazole 4-ethyl ester;2-Methyl-4-oxazolecarboxylic acid ethyl ester; |
| CAS: | 10200-43-8 |
| Molecular Formula: | C7H9NO3 |
| Molecular Weight: | 155.15 |
| InChI: | InChI=1/C7H9NO3/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.14g/cm3 |
| Refractive index: | 1.468 |
| Specification: |
The Ethyl 2-methyl-4-oxazolecarboxylate with cas registry number of 10200-43-8, is also called 2-Methyloxazole-4-carboxylicacid ethyl ester; 2-methyl oxazole 4-ethyl ester. Physical properties of Ethyl 2-methyl-4-oxazolecarboxylate: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 56; (8)ACD/KOC (pH 7.4): 56; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 37.875 cm3; (15)Molar Volume: 136.126 cm3; (16)Polarizability: 15.015×10-24cm3; (17)Surface Tension: 37.866 dyne/cm; (18)Enthalpy of Vaporization: 44.664 kJ/mol; (19)Vapour Pressure: 0.193 mmHg at 25°C. You can still convert the following datas into molecular structure: (1)SMILES:O=C(OCC)c1nc(oc1)C; (2)InChI:InChI=1/C7H9NO3/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3; (3)InChIKey:JRPMRQTZCURBRG-UHFFFAOYAY; (4)Std. InChI:InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3; (5)Std. InChIKey:JRPMRQTZCURBRG-UHFFFAOYSA-N. |
| Safety Data | |
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