CAS No.5777-20-8,3-hydroxy-isoxazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5777-20-8
Name:	3-hydroxy-isoxazole
Article Data:	1

Formula:	C₃H₃NO₂
Molecular Weight:	85.0623
Synonyms:	3-Hydroxyisoxazole;Isoxazolone;
Density:	1.297 g/cm³
Melting Point:	98-99℃
Boiling Point:	221.5 °C at 760 mmHg
Flash Point:	87.7 °C
PSA:	46.26000
LogP:	0.38020

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Specification

The 3(2H)-Isoxazolone with CAS registry number of 5777-20-8 is also known as 3-Hydroxyisoxazole and Isoxazolone. The systematic name is Isoxazol-3(2H)-one. In addition, the formula is C₃H₃NO₂ and the molecular weight is 85.06.

Physical properties about 3(2H)-Isoxazolone are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31; (8)ACD/KOC (pH 7.4): 26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.33Å²; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 18.523 cm³; (15)Molar Volume: 65.584 cm³; (16)Polarizability: 7.343×10^-24cm³; (17)Surface Tension: 37.082 dyne/cm; (18)Density: 1.297 g/cm³; (19)Flash Point: 87.7 °C; (20)Enthalpy of Vaporization: 47.65 kJ/mol; (21)Boiling Point: 221.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0722 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1/C=C\ON1
2. InChI: InChI=1/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
3. InChIKey: FUOSTELFLYZQCW-UHFFFAOYAB
4. Std. InChI: InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
5. Std. InChIKey: FUOSTELFLYZQCW-UHFFFAOYSA-N