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CAS No.: | 53064-42-9 |
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Name: | 3-Ethyl-4-hydroxymethyl-5-methylisoxazole |
Molecular Structure: | |
Formula: | C7H11NO2 |
Molecular Weight: | 141.1677 |
Synonyms: | (3-Ethyl-5-methyl-isoxazol-4-yl)methanol; |
Density: | 1.099 g/cm3 |
Boiling Point: | 261.6 °C at 760 mmHg |
Flash Point: | 112 °C |
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The 3-Ethyl-4-hydroxymethyl-5-methylisoxazole has CAS registry number 53064-42-9. This chemical's molecular formula is C7H11NO2 and molecular weight is 141.1677. What's more, its systematic name is (3-Ethyl-5-methyl-isoxazol-4-yl)methanol.
Physical properties about 3-Ethyl-4-hydroxymethyl-5-methylisoxazole are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 0.35; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 46.26 Å2; (9)Index of Refraction: 1.495; (10)Molar Refractivity: 37.46 cm3; (11)Molar Volume: 128.3 cm3; (12)Polarizability: 14.85×10-24 cm3; (13)Surface Tension: 40.1 dyne/cm; (14)Density: 1.099 g/cm3; (15)Flash Point: 112 °C; (16)Enthalpy of Vaporization: 52.75 kJ/mol; (17)Boiling Point: 261.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0058 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1c(C)onc1CC
(2) InChI: InChI=1/C7H11NO2/c1-3-7-6(4-9)5(2)10-8-7/h9H,3-4H2,1-2H3
(3) InChIKey: GTRNETLYKHDQCC-UHFFFAOYAO