3-Isoxazolemethanol supplier | CasNO.89102-73-8

Name
3-Isoxazolemethanol
EINECS
CAS No. 89102-73-8
Article Data5
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₄H₅NO₂
Boiling Point 239.999 °C at 760 mmHg
Molecular Weight 99.0892
Flash Point 98.948 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hydroxymethylisoxazole;Isoxazol-3-ylmethanol;
PSA 46.26000
LogP 0.16690

3-Isoxazolemethanol Specification

The 3-Isoxazolemethanol is an organic compound with the formula C₄H₅NO₂. The systematic name of this chemical is isoxazol-3-ylmethanol. With the CAS registry number 89102-73-8, it is also named as 1,2-Oxazol-3-ylmethanol.

Physical properties about 3-Isoxazolemethanol are: (1)ACD/LogP: -0.15; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6; (5)ACD/KOC (pH 7.4): 6; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.26 Å²; (10)Index of Refraction: 1.494; (11)Molar Refractivity: 23.095 cm³; (12)Molar Volume: 79.268 cm³; (13)Polarizability: 9.156×10^-24cm³; (14)Surface Tension: 48.274 dyne/cm; (15)Density: 1.25 g/cm³; (16)Flash Point: 98.948 °C; (17)Enthalpy of Vaporization: 50.397 kJ/mol; (18)Boiling Point: 239.999 °C at 760 mmHg; (19)Vapour Pressure: 0.021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ccon1
(2)InChI: InChI=1/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2
(3)InChIKey: GBCAGXLDCTZCCT-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2
(5)Std. InChIKey: GBCAGXLDCTZCCT-UHFFFAOYSA-N

Product Name

3-Isoxazolemethanol

3-Isoxazolemethanol Specification

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