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| Name |
4-Isoxazolepropanol |
EINECS | N/A |
| CAS No. | 10421-09-7 | Density | 1.132 g/cm3 |
| PSA | 46.26000 | LogP | 0.59950 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H9NO2 | Boiling Point | 260.8 °C at 760 mmHg |
| Molecular Weight | 127.14 | Flash Point | 111.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-(1,2-Oxazol-4-yl)propan-1-ol;3-Isoxazol-4-ylpropan-1-ol; |
4-Isoxazolepropanol Specification
The 4-Isoxazolepropanol, with the CAS registry number 10421-09-7, is also known as 3-(1,2-Oxazol-4-yl)propan-1-ol. This chemical's molecular formula is C6H9NO2 and molecular weight is 127.14. What's more, its systematic name is 3-Isoxazol-4-ylpropan-1-ol.
Physical properties of 4-Isoxazolepropanol are: (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): 17.22; (5)ACD/KOC (pH 7.4): 17.22; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 46.26 Å2; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 32.36 cm3; (12)Molar Volume: 112.2 cm3; (13)Polarizability: 12.82×10-24 cm3; (14)Surface Tension: 43.5 dyne/cm; (15)Density: 1.132 g/cm3; (16)Flash Point: 111.5 °C; (17)Enthalpy of Vaporization: 52.66 kJ/mol; (18)Boiling Point: 260.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0061 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCc1conc1
(2)InChI: InChI=1/C6H9NO2/c8-3-1-2-6-4-7-9-5-6/h4-5,8H,1-3H2
(3)InChIKey: UAJXYTTYMXWESL-UHFFFAOYAX
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