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Methyl 3-hydroxyisoxazole-5-carboxylate

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Name

Methyl 3-hydroxyisoxazole-5-carboxylate

EINECS N/A
CAS No. 10068-07-2 Density 1.406 g/cm3
PSA 72.56000 LogP 0.16680
Solubility N/A Melting Point 160-163 °C(lit.)
Formula C5H5NO4 Boiling Point 332.915 °C at 760 mmHg
Molecular Weight 143.099 Flash Point 155.142 °C
Transport Information N/A Appearance Light yellow powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10068-07-2 (METHYL 3-HYDROXY-5-ISOXAZOLECARBOXYLATE) Hazard Symbols IrritantXi
Synonyms

5-Isoxazolecarboxylicacid, 3-hydroxy-, methyl ester (7CI,8CI);3-Hydroxyisoxazole-5-carboxylic acid methylester;

Article Data 17

Methyl 3-hydroxyisoxazole-5-carboxylate 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)

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