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| CAS No.: | 33036-67-8 |
|---|---|
| Name: | ETHYL 2-OXAZOLECARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C6H7NO3 |
| Molecular Weight: | 141.126 |
| Synonyms: | ETHYL OXAZOLE-2-CARBOXYLATE;ETHYL 2-OXAZOLECARBOXYLATE;2-Oxazolecarboxylicacid,ethylester(8CI);oxazole-2-carboxylic acid ethyl ester;ethyl 1,3-oxazole-2-carboxylate |
| Density: | 1.177g/cm3 |
| Boiling Point: | 193.976 °C at 760 mmHg |
| Flash Point: | 71.115 °C |
| PSA: | 52.33000 |
| LogP: | 0.85130 |
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Specification
The Ethyl oxazole-2-carboxylate with cas registry number of 33036-67-8, belongs to the following product categorie: carboxylicester. Its systematic name and its IUPAC name are the same, which is ethyl 1,3-oxazole-2-carboxylate.
Physical properties about this chemical are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.884; (4)ACD/LogD (pH 7.4): 0.884; (5)ACD/BCF (pH 5.5): 2.766; (6)ACD/BCF (pH 7.4): 2.766; (7)ACD/KOC (pH 5.5): 72.099; (8)ACD/KOC (pH 7.4): 72.099; (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: 1.464; (14)Molar Refractivity: 33.05 cm3; (15)Molar Volume: 119.851 cm3; (16)Polarizability: 13.102×10-24cm3; (17)Surface Tension: 39.275 dyne/cm; (18)Enthalpy of Vaporization: 43.017 kJ/mol; (19)Vapour Pressure: 0.452 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1ncco1;
(2)InChI: InChI=1/C6H7NO3/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3;
(3)InChIKey: JYQRCIRWXOYCLA-UHFFFAOYAI;
(4)Std. InChI: InChI=1S/C6H7NO3/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3;
(5)Std. InChIKey: JYQRCIRWXOYCLA-UHFFFAOYSA-N