4-Isoxazolecarboxylic acid, 5-hydroxy-, ethyl ester (9CI) supplier

Name
4-Isoxazolecarboxylic acid, 5-hydroxy-, ethyl ester (9CI)
EINECS
CAS No. 500348-26-5
Density 1.328 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₄
Boiling Point 252.1 °C at 760 mmHg
Molecular Weight 157.12408
Flash Point 106.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Isoxazolecarboxylic acid, 5-hydroxy-, ethyl ester;5-Hydroxy-4-isoxazolecarboxylic acid ethyl ester;ethyl 5-hydroxyisoxazole-4-carboxylate;Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate;
PSA 72.56000
LogP 0.55690

4-Isoxazolecarboxylic acid, 5-hydroxy-, ethyl ester (9CI) Specification

The 4-Isoxazolecarboxylic acid, 5-hydroxy-, ethyl ester (9CI), with the CAS registry number 500348-26-5, has the systematic name of ethyl 5-hydroxyisoxazole-4-carboxylate. It belongs to the following product categories: Oxazole; Carboxylicester; Alcohol. And the molecular formula of the chemical is C₆H₇NO₄.

The characteristics of 4-Isoxazolecarboxylic acid, 5-hydroxy-, ethyl ester (9CI) are as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 72.56 Å²; (8)Index of Refraction: 1.502; (9)Molar Refractivity: 34.93 cm³; (10)Molar Volume: 118.2 cm³; (11)Polarizability: 13.84×10^-24cm³; (12)Surface Tension: 50.3 dyne/cm; (13)Density: 1.328 g/cm³; (14)Flash Point: 106.2 °C; (15)Enthalpy of Vaporization: 50.92 kJ/mol; (16)Boiling Point: 252.1 °C at 760 mmHg; (17)Vapour Pressure: 0.0124 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1oncc1C(=O)OCC
(2)InChI: InChI=1/C6H7NO4/c1-2-10-5(8)4-3-7-11-6(4)9/h3,9H,2H2,1H3
(3)InChIKey: NLSRQXPNVWEMFC-UHFFFAOYAL

Product Name

4-Isoxazolecarboxylic acid, 5-hydroxy-, ethyl ester (9CI)

4-Isoxazolecarboxylic acid, 5-hydroxy-, ethyl ester (9CI) Specification

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