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| CAS No.: | 20328-15-8 |
|---|---|
| Name: | ETHYL 3-METHYLISOXAZOLE-4-CARBOXYLATE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H9NO3 |
| Molecular Weight: | 155.15 |
| Synonyms: | 3-Methylisoxazole-4-carboxylicacid ethyl ester;NSC 250960; |
| EINECS: | -0 |
| Density: | 1.139 g/cm3 |
| Boiling Point: | 226.4 °C at 760 mmHg |
| Flash Point: | 90.7 °C |
| Safety: | 24/25 |
| PSA: | 52.33000 |
| LogP: | 1.15970 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester, with the CAS registry number 20328-15-8, is also known as 3-Methylisoxazole-4-carboxylic acid ethyl ester. Its molecular formula is C7H9NO3 and product category is Oxzole. However, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the 4-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester can be summarised as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 52.33 Å2; (7)Index of Refraction: 1.468; (8)Molar Refractivity: 37.87 cm3; (9)Molar Volume: 136.1 cm3; (10)Polarizability: 15.01×10-24cm3; (11)Surface Tension: 37.8 dyne/cm; (12)Density: 1.139 g/cm3; (13)Flash Point: 90.7 °C; (14)Enthalpy of Vaporization: 46.29 kJ/mol; (15)Boiling Point: 226.4 °C at 760 mmHg; (16)Vapour Pressure: 0.082 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1conc1C
2.InChI: InChI=1/C7H9NO3/c1-3-10-7(9)6-4-11-8-5(6)2/h4H,3H2,1-2H3
3.InChIKey: AEWHICNMVQOWJE-UHFFFAOYAT