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| CAS No.: | 88511-38-0 |
|---|---|
| Name: | Ketone, 5-isoxazolyl methyl (7CI) |
| Molecular Structure: | |
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| Formula: | C5H5 N O2 |
| Molecular Weight: | 111.1 |
| Synonyms: | Ketone,5-isoxazolyl methyl (7CI);1-(5-Isoxazolyl)ethanone; |
| Density: | 1.145g/cm3 |
| Melting Point: | 52.5-53 °C(Solv: ligroine (8032-32-4)) |
| Boiling Point: | 205.5 °C at 760 mmHg |
| Flash Point: | 78.1 °C |
| PSA: | 43.10000 |
| LogP: | 0.87720 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:28 Page 1 of 1 1
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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 .