Methyl 5-methylisoxazole-3-carboxylate

The Methyl 5-methylisoxazole-3-carboxylate, with the CAS registry number 19788-35-3, is also known as 3-Isoxazolecarboxylic acid, 5-methyl-, methyl ester. It belongs to the product categories of Carboxylicester; Heterocycles series. Its EINECS registry number is 243-311-9. This chemical's molecular formula is C₆H₇NO₃ and molecular weight is 141.12. Its IUPAC name is called methyl 5-methyl-1,2-oxazole-3-carboxylate. This chemical is white to off-white crystalline powder.

Physical properties of Methyl 5-methylisoxazole-3-carboxylate: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.942; (4)ACD/LogD (pH 7.4): 0.942; (5)ACD/BCF (pH 5.5): 3.064; (6)ACD/BCF (pH 7.4): 3.064; (7)ACD/KOC (pH 5.5): 77.568; (8)ACD/KOC (pH 7.4): 77.568; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 33.242 cm³; (13)Molar Volume: 119.62 cm³; (14)Surface Tension: 38.463 dyne/cm; (15)Density: 1.18 g/cm³; (16)Melting Point: 90-92 °C; (17)Flash Point: 93.43 °C; (18)Enthalpy of Vaporization: 46.752 kJ/mol; (19)Boiling Point: 230.875 °C at 760 mmHg; (20)Vapour Pressure: 0.064 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You are avoided contacting it with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NO1)C(=O)OC
(2)InChI: InChI=1S/C6H7NO3/c1-4-3-5(7-10-4)6(8)9-2/h3H,1-2H3
(3)InChIKey: MVHHQOCEOUNTID-UHFFFAOYSA-N