Ethyl isoxazol-3-carboxylate supplier

Name
ETHYL ISOXAZOLE-3-CARBOXYLATE
EINECS
CAS No. 3209-70-9
Article Data10
CAS DataBase
Density 1.177 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₃
Boiling Point 219.514 °C at 760 mmHg
Molecular Weight 141.126
Flash Point 86.559 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Ethoxycarbonylisoxazole;Ethyl 3-isoxazolecarboxylate;Ethyl 5-isoxazole-3-carboxylate;
PSA 52.33000
LogP 0.85130

Ethyl isoxazol-3-carboxylate Specification

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

Product Name

ETHYL ISOXAZOLE-3-CARBOXYLATE

Ethyl isoxazol-3-carboxylate Specification

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