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Name |
5-Isoxazolemethanol,3-methyl- |
EINECS | N/A |
CAS No. | 14716-89-3 | Density | 1.183 g/cm3 |
PSA | 46.26000 | LogP | 0.47530 |
Solubility | N/A | Melting Point |
130 °C |
Formula | C5H7NO2 | Boiling Point | 241.954 °C at 760 mmHg |
Molecular Weight | 113.116 | Flash Point | 100.13 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3-Methylisoxazol-5-yl)methan-1-ol; |
Article Data | 1 |
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