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Name	Isoxazole-3-carbonitrile	EINECS	N/A
CAS No.	68776-57-8	Density	1.25 g/cm³
PSA	49.82000	LogP	0.54628
Solubility	N/A	Melting Point	N/A
Formula	C₄H₂N₂O	Boiling Point	226.8 °C at 760 mmHg
Molecular Weight	94.07	Flash Point	91 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	22
Molecular Structure		Hazard Symbols	Xn
Synonyms	Isoxazole-3-carbonitrile;	Article Data	9

Isoxazole-3-carbonitrile Specification

The CAS register number of Isoxazole-3-carbonitrile is 68776-57-8. It also can be called as 3-Isoxazolecarbonitrile and the systematic name about this chemical is 1,2-oxazole-3-carbonitrile. It belongs to the Isoxazole.

Physical properties about Isoxazole-3-carbonitrile are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 13; (4) ACD/KOC (pH 7.4): 13; (5)#H bond acceptors: 3; (6)Polar Surface Area: 49.82Å²; (7)Index of Refraction: 1.489; (8)Molar Refractivity: 21.6 cm³; (9)Molar Volume: 74.7 cm³; (10)Polarizability: 8.56x10^-24cm³; (11)Surface Tension: 55.1 dyne/cm; (12)Enthalpy of Vaporization: 46.34 kJ/mol; (13)Boiling Point: 226.8 °C at 760 mmHg; (14)Vapour Pressure: 0.0801 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccon1
(2)InChI: InChI=1/C4H2N2O/c5-3-4-1-2-7-6-4/h1-2H
(3)InChIKey: QUBXULZTCLXFRV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C4H2N2O/c5-3-4-1-2-7-6-4/h1-2H
(5)Std. InChIKey: QUBXULZTCLXFRV-UHFFFAOYSA-N

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