Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl isoxazol-3-carboxylate |
EINECS | N/A |
CAS No. | 3209-70-9 | Density | 1.177 g/cm3 |
PSA | 52.33000 | LogP | 0.85130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7NO3 | Boiling Point | 219.514 °C at 760 mmHg |
Molecular Weight | 141.126 | Flash Point | 86.559 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Ethoxycarbonylisoxazole;Ethyl 3-isoxazolecarboxylate;Ethyl 5-isoxazole-3-carboxylate; |
Article Data | 10 |
The CAS register number of 3-Isoxazolecarboxylicacid, ethyl ester is 3209-70-9. It also can be called as ethyl 3-isoxazolecarboxylate and the IUPAC name about this chemical is ethyl 1,2-oxazole-3-carboxylate. The molecular formula about this chemical is C6H7NO3 and the molecular weight is 141.12.
Physical properties about 3-Isoxazolecarboxylicacid, ethyl ester are: (1)ACD/LogP: 0.98; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 81; (7)ACD/KOC (pH 7.4): 81; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.33Å2; (11)Index of Refraction: 1.464; (12)Molar Refractivity: 33.05 cm3; (13)Molar Volume: 119.851 cm3; (14)Polarizability: 13.102x10-24cm3; (15)Surface Tension: 39.275 dyne/cm; (16)Enthalpy of Vaporization: 45.592 kJ/mol; (17)Boiling Point: 219.514 °C at 760 mmHg; (18)Vapour Pressure: 0.119 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1ccon1
(2)InChI: InChI=1/C6H7NO3/c1-2-9-6(8)5-3-4-10-7-5/h3-4H,2H2,1H3
(3)InChIKey: RKXWKTOBQOSONL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H7NO3/c1-2-9-6(8)5-3-4-10-7-5/h3-4H,2H2,1H3
(5)Std. InChIKey: RKXWKTOBQOSONL-UHFFFAOYSA-N