| Identification | |
| Name: | 3-Isoxazolecarboxaldehyde |
| Synonyms: | 3-Formylisoxazole;Isoxazole-3-carbaldehyde;1,2-oxazole-3-carbaldehyde; |
| CAS: | 89180-61-0 |
| Molecular Formula: | C4H3NO2 |
| Molecular Weight: | 97.07 |
| InChI: | InChI=1/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.258g/cm3 |
| Refractive index: | 1.518 |
| Specification: |
The Isoxazole-3-carbaldehyde with the CAS number 89180-61-0 is also called 3-Isoxazolecarboxaldehyde. The systematic name is 1,2-oxazole-3-carbaldehyde. Its molecular formula is C4H3NO2. This chemical is a kind of organics. It should be stored in dry and cool environment. The properties of the Isoxazole-3-carbaldehyde 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): 12.76; (5)ACD/KOC (pH 7.4): 12.76; (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: 1.518; (11)Molar Refractivity: 23.39 cm3; (12)Molar Volume: 77.1 cm3; (13)Polarizability: 9.27×10-24cm3; (14)Surface Tension: 45.6 dyne/cm; (15)Enthalpy of Vaporization: 44.82 kJ/mol; (16)Vapour Pressure: 0.178 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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