-
Name
4-hydroxyisoxazole
- EINECS
- CAS No. 80348-66-9
- Article Data5
- CAS DataBase
- Density 1.331 g/cm3
- Solubility
- Melting Point
- Formula C3H3NO2
- Boiling Point 221.5 °C at 760 mmHg
- Molecular Weight 85.0623
- Flash Point 87.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Triumferol;
- PSA 46.26000
- LogP 0.38020
4-Isoxazolol Specification
The 4-Isoxazolol , with the CAS registry number 80348-66-9, has the systematic name 1,2-oxazol-4-ol. Its molecular formula is C3H3NO2 and its molecular weight is 85.0614.
Other characteristics of the 4-Isoxazolol can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 10.4; (4)ACD/KOC (pH 7.4): 6.94; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 46.26 Å2; (9)Index of Refraction: 1.491; (10)Molar Refractivity: 18.52 cm3; (11)Molar Volume: 63.8 cm3; (12)Polarizability: 7.34×10-24cm3; (13)Surface Tension: 50.6 dyne/cm; (14)Density: 1.331 g/cm3; (15)Flash Point: 87.7 °C; (16)Enthalpy of Vaporization: 47.65 kJ/mol; (17)Boiling Point: 221.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0722 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1conc1
2.InChI: InChI=1/C3H3NO2/c5-3-1-4-6-2-3/h1-2,5H
3.InChIKey: ABFBKQBATYREHU-UHFFFAOYAM
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