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| CAS No.: | 14716-89-3 |
|---|---|
| Name: | (3-METHYLISOXAZOL-5-YL)METHANOL |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C5H7NO2 |
| Molecular Weight: | 113.116 |
| Synonyms: | (3-Methylisoxazol-5-yl)methan-1-ol; |
| Density: | 1.183 g/cm3 |
| Melting Point: | 130 °C |
| Boiling Point: | 241.954 °C at 760 mmHg |
| Flash Point: | 100.13 °C |
| PSA: | 46.26000 |
| LogP: | 0.47530 |
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Specification
The 5-Isoxazolemethanol,3-methyl-, with the CAS registry number of 14716-89-3, is also known as (3-Methylisoxazol-5-yl)methan-1-ol. This chemical's molecular formula is C5H7NO2 and molecular weight is 113.0. What's more, its systematic name is (3-Methyl-1,2-oxazol-5-yl)methanol.
Physical properties about the 5-Isoxazolemethanol,3-methyl- are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 46.26 Å2; (7)Index of Refraction: 1.496; (8)Molar Refractivity: 27.92 cm3; (9)Molar Volume: 95.543 cm3; (10)Surface Tension: 44.369 dyne/cm; (11)Density: 1.184 g/cm3; (12)Flash Point: 100.13 °C; (13)Enthalpy of Vaporization: 50.609 kJ/mol; (14)Boiling Point: 241.954 °C at 760 mmHg; (15)Vapour Pressure: 0.019 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1onc(c1)C
(2) InChI: InChI=1/C5H7NO2/c1-4-2-5(3-7)8-6-4/h2,7H,3H2,1H3
(3) InChIKey: OFSDWHRZVRCPBR-UHFFFAOYAZ