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71502-43-7

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Basic Information
CAS No.: 71502-43-7
Name: 5-Isoxazolemethanol, α,3-dimethyl-
Article Data: 7
Molecular Structure:
Molecular Structure of 71502-43-7 (5-Isoxazolemethanol, α,3-dimethyl-)
Formula: C6H9NO2
Molecular Weight: 127.143
Synonyms: 1-(3-Methylisoxazol-5-yl)ethanol;
Density: 1.127 g/cm3
Boiling Point: 232.453 °C at 760 mmHg
Flash Point: 94.385 °C
PSA: 46.26000
LogP: 1.03630
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Specification

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