Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester |
EINECS | -0 |
CAS No. | 20328-15-8 | Density | 1.139 g/cm3 |
PSA | 52.33000 | LogP | 1.15970 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H9NO3 | Boiling Point | 226.4 °C at 760 mmHg |
Molecular Weight | 155.15 | Flash Point | 90.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methylisoxazole-4-carboxylicacid ethyl ester;NSC 250960; |
Article Data | 7 |
The 4-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester, with the CAS registry number 20328-15-8, is also known as 3-Methylisoxazole-4-carboxylic acid ethyl ester. Its molecular formula is C7H9NO3 and product category is Oxzole. However, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the 4-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester can be summarised as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 52.33 Å2; (7)Index of Refraction: 1.468; (8)Molar Refractivity: 37.87 cm3; (9)Molar Volume: 136.1 cm3; (10)Polarizability: 15.01×10-24cm3; (11)Surface Tension: 37.8 dyne/cm; (12)Density: 1.139 g/cm3; (13)Flash Point: 90.7 °C; (14)Enthalpy of Vaporization: 46.29 kJ/mol; (15)Boiling Point: 226.4 °C at 760 mmHg; (16)Vapour Pressure: 0.082 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1conc1C
2.InChI: InChI=1/C7H9NO3/c1-3-10-7(9)6-4-11-8-5(6)2/h4H,3H2,1-2H3
3.InChIKey: AEWHICNMVQOWJE-UHFFFAOYAT