Ethyl 5-methylisoxazole-3-carboxylate (3209-72-1)

The Ethyl 5-methylisoxazole-3-carboxylate with its cas register number is 3209-72-1. It also can be called as 5-Methylisoxazole-3-carboxylic acid ethyl ester and the IUPAC Name about this chemical is ethyl 5-methyl-1,2-oxazole-3-carboxylate. It belongs to the Oxazole and Oxazole&Isoxazole.

Physical properties about Ethyl 5-methylisoxazole-3-carboxylate are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.05; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 3.69; (5)ACD/BCF (pH 7.4): 3.69; (6)ACD/KOC (pH 5.5): 88.66; (7)ACD/KOC (pH 7.4): 88.66; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.33Ų; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 37.87 cm³; (13)Molar Volume: 136.1 cm³; (14)Polarizability: 15.01x10^-24cm³; (15)Surface Tension: 37.8 dyne/cm; (16)Enthalpy of Vaporization: 48.33 kJ/mol; (17)Vapour Pressure:  0.0275 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=NOC(=C1)C
(2)InChI: InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)11-8-6/h4H,3H2,1-2H3
(3)InChIKey: OCCIGHIQVMLYBZ-UHFFFAOYSA-N