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Name |
5-Isoxazolemethanol,a,3-dimethyl- |
EINECS | N/A |
CAS No. | 71502-43-7 | Density | 1.127 g/cm3 |
PSA | 46.26000 | LogP | 1.03630 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9NO2 | Boiling Point | 232.453 °C at 760 mmHg |
Molecular Weight | 127.143 | Flash Point | 94.385 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(3-Methylisoxazol-5-yl)ethanol; |
Article Data | 7 |
The CAS registry number of 5-Isoxazolemethanol,a,3-dimethyl- is 71502-43-7. The IUPAC name is 1-(3-methylisoxazol-5-yl)ethanol. In addition, the formula is C6H9NO2 and the molecular weight is 127.1412. It should be stored in a cool environment.
Physical properties about 5-Isoxazolemethanol,a,3-dimethyl- are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.419; (4)ACD/LogD (pH 7.4): 0.419; (5)ACD/BCF (pH 5.5): 1.225; (6)ACD/BCF (pH 7.4): 1.225; (7)ACD/KOC (pH 5.5): 40.251; (8)ACD/KOC (pH 7.4): 40.251; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.26 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 32.556 cm3; (15)Molar Volume: 112.798 cm3; (16)Polarizability: 12.906 ×10-24cm3; (17)Surface Tension: 40.773 dyne/cm; (18)Density: 1.127 g/cm3; (19)Flash Point: 94.385 °C; (20)Enthalpy of Vaporization: 49.581 kJ/mol; (21)Boiling Point: 232.453 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(on1)C(C)O
(2)InChI: InChI=1/C6H9NO2/c1-4-3-6(5(2)8)9-7-4/h3,5,8H,1-2H3
(3)InChIKey: QLOCZOGQZFCJAZ-UHFFFAOYAV