| Identification | |
| Name: | Ethanone,1-(5-isoxazolyl)- |
| Synonyms: | Ketone,5-isoxazolyl methyl (7CI) |
| CAS: | 88511-38-0 |
| Molecular Formula: | C5H5 N O2 |
| Molecular Weight: | 0 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.145 |
| 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 . |
| Safety Data | |
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