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76284-27-0

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Basic Information
CAS No.: 76284-27-0
Name: Ethyl-4-methyl-3,5-oxazolecarboxylate
Article Data: 4
Molecular Structure:
Molecular Structure of 76284-27-0 (Ethyl-4-methyl-3,5-oxazolecarboxylate)
Formula: C7H9NO3
Molecular Weight: 155.153
Synonyms: 4-Oxazolecarboxylic acid, 2-methyl-, ethyl ester;
Density: 1.14 g/cm3
Boiling Point: 210.361 °C at 760 mmHg
Flash Point: 81.023 °C
PSA: 52.33000
LogP: 0.76960
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Specification

The Ethyl-4-methyl-3, 5-oxazolecarboxylate, with the CAS registry number 76284-27-0, is also known as 4-Oxazolecarboxylic acid, 2-methyl-, ethyl ester. It belongs to the product categories of Building Blocks; Oxazole; Heterocycles. This chemical's molecular formula is C7H9NO3 and molecular weight is 155.15. What's more, its systematic name is Ethyl 2-methyl-1, 3-oxazole-4-carboxylate.

Physical properties about Ethyl-4-methyl-3, 5-oxazolecarboxylate are: (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: 15.015×10-24 cm3; (17)Surface Tension: 37.866 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 81.023 °C; (20)Enthalpy of Vaporization: 44.664 kJ/mol; (21)Boiling Point: 210.361 °C at 760 mmHg; (22)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