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5-Isoxazolecarboxylicacid, 2,3-dihydro-3-oxo-, methyl ester (10068-07-2)

Identification
Name:5-Isoxazolecarboxylicacid, 2,3-dihydro-3-oxo-, methyl ester
Synonyms:5-Isoxazolecarboxylicacid, 3-hydroxy-, methyl ester (7CI,8CI);3-Hydroxyisoxazole-5-carboxylic acid methylester;
CAS:10068-07-2
Molecular Formula: C5H5NO4
Molecular Weight: 143.0975
InChI: InChI=1S/C5H5NO4/c1-9-5(8)3-2-4(7)6-10-3/h2H,1H3,(H,6,7)
Molecular Structure: (C5H5NO4) 5-Isoxazolecarboxylicacid, 3-hydroxy-, methyl ester (7CI,8CI);3-Hydroxyisoxazole-5-carboxylic acid m...
Properties
Density:1.414 g/cm3
Refractive index:1.494
Water Solubility:very soluble in water
Solubility:very soluble in water
Appearance:Light Yellow Powder
Specification:

The Methyl 3-hydroxyisoxazole-5-carboxylate with the cas number 10068-07-2, is also called methyl 3-oxo-1,2-oxazole-5-carboxylate named by IUPAC. It belongs to the following product categories: (1)pharmacetical; (2)Heterocycles series; (3)Heterocyclic Compounds; (4)Aromatics Compounds; (5)Aromatics; (6)Intermediates; (7)Building Blocks; (8)Heterocyclic Building Blocks; (9)Isoxazoles

Physical properties about this chemical are: (1)ACD/LogP: -0.59 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.59 ; (4)ACD/LogD (pH 7.4): -0.59 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 11.43 ; (8)ACD/KOC (pH 7.4): 11.43 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 55.84 Å2 ; (13)Index of Refraction: 1.494 ; (14)Molar Refractivity: 29.46 cm3 ; (15)Molar Volume: 101.1 cm3 ; (16)Polarizability: 11.68 ×10-24cm3 ; (17)Surface Tension: 46.1 dyne/cm ; (18)Density: 1.414 g/cm3 ; (19)Flash Point: 155.1 °C ; (20)Enthalpy of Vaporization: 59.86 kJ/mol ; (21)Boiling Point: 332.9 °C at 760 mmHg ; (22)Vapour Pressure: 7.31E-05 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. In case of contact with your eyes, you should immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes when contact with your skin. As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. 

You can still convert the following datas into molecular structure :
(1) SMILES: O=C(OC)C=1ONC(=O)C=1
(2) InChI:InChI=1/C5H5NO4/c1-9-5(8)3-2-4(7)6-10-3/h2H,1H3,(H,6,7)

Usage:An interesting intermediate
Safety Data
Hazard Symbols Xi:Irritant