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Name	1-(5-Isoxazolyl)ethanone	EINECS	N/A
CAS No.	88511-38-0	Density	1.145g/cm³
PSA	43.10000	LogP	0.87720
Solubility	N/A	Melting Point	52.5-53 °C(Solv: ligroine (8032-32-4))
Formula	C₅H₅ N O₂	Boiling Point	205.5 °C at 760 mmHg
Molecular Weight	111.1	Flash Point	78.1 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Ketone,5-isoxazolyl methyl (7CI);1-(5-Isoxazolyl)ethanone;

1-(5-Isoxazolyl)ethanone Specification

The 1-(5-Isoxazolyl)ethanone with cas registry number of 88511-38-0, is also called Ketone,5-isoxazolyl methyl (7CI) .The 1-(5-Isoxazolyl)ethanone belongs to the following product categorie: acetylgroup .

Physical properties of 1-(5-Isoxazolyl)ethanone :(1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.25; (5)ACD/KOC (pH 7.4): 10.25; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 43.1 Å²; (10)Index of Refraction: 1.462; (11)Molar Refractivity: 26.67 cm³; (12)Molar Volume: 96.9 cm³; (13)Polarizability: 10.57×10^-24cm³; (14)Surface Tension: 37.8 dyne/cm; (15)Enthalpy of Vaporization: 44.17 kJ/mol; (16)Vapour Pressure: 0.25 mmHg at 25°C .

You can still convert the following datas into molecular structure:(1)SMILES:CC(=O)c1ccno1; (2)InChI:InChI=1/C5H5NO2/c1-4(7)5-2-3-6-8-5/h2-3H,1H3; (3)InChIKey:GKUBGXGRJNAABQ-UHFFFAOYAL; (4)Std. InChI:InChI=1S/C5H5NO2/c1-4(7)5-2-3-6-8-5/h2-3H,1H3; (5)Std. InChIKey:GKUBGXGRJNAABQ-UHFFFAOYSA-N .

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