3-Isoxazoleacetic acid,5-methyl-, ethyl ester supplier

Name
ethyl 2-(5-methylisoxazol-3-yl)acetate
EINECS
CAS No. 60148-50-7
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₈H₁₁NO₃
Boiling Point 253.4 °C at 760 mmHg
Molecular Weight 169.1778
Flash Point 107 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl (5-methylisoxazol-3-yl)acetate;
PSA 52.33000
LogP 1.08860

3-Isoxazoleacetic acid,5-methyl-, ethyl ester Specification

The CAS registry number of 3-Isoxazoleacetic acid,5-methyl-, ethyl ester is 60148-50-7. This chemical's molecular formula is C₈H₁₁NO₃ and molecular weight is 169.1778. What's more, its systematic name is called Ethyl (5-methylisoxazol-3-yl)acetate.

Physical properties about 3-Isoxazoleacetic acid,5-methyl-, ethyl ester are: (1)ACD/LogP: 0.82; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.47; (6)ACD/BCF (pH 7.4): 2.47; (7)ACD/KOC (pH 5.5): 66.46; (8)ACD/KOC (pH 7.4): 66.46; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.33 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 42.05 cm³; (15)Molar Volume: 151 cm³; (16)Polarizability: 16.67×10^-24 cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 107 °C; (20)Enthalpy of Vaporization: 49.07 kJ/mol; (21)Boiling Point: 253.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0183 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(CC(=O)OCC)no1
(2) InChI: InChI=1/C8H11NO3/c1-3-11-8(10)5-7-4-6(2)12-9-7/h4H,3,5H2,1-2H3
(3) InChIKey: RSSDUNGORDXKPO-UHFFFAOYAQ

Product Name

ethyl 2-(5-methylisoxazol-3-yl)acetate

3-Isoxazoleacetic acid,5-methyl-, ethyl ester Specification

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