Basic Information | Post buying leads | Suppliers |
Name |
4-Methoxyisoxazole |
EINECS | N/A |
CAS No. | 83259-38-5 | Density | 1.107 g/cm3 |
PSA | 35.26000 | LogP | 0.68320 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H5NO2 | Boiling Point | 158.9 °C at 760 mmHg |
Molecular Weight | 99.0892 | Flash Point | 49.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-methoxyisoxazole; |
This chemical is called 4-Methoxyisoxazole, and its systematic name is 4-methoxy-1,2-oxazole. Its molecular formula is C4H5NO2 and its molecular weight is 99.088. Moreover, its CAS registry number is is 83259-38-5.
Other characteristics of the 4-Methoxyisoxazole can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/LogD (pH 5.5): 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.69; (7)ACD/KOC (pH 7.4): 23.69; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.26 Å2; (12)Index of Refraction: 1.434; (13)Molar Refractivity: 23.32 cm3; (14)Molar Volume: 89.4 cm3; (15)Polarizability: 9.24×10-24cm3; (16)Surface Tension: 31.5 dyne/cm; (17)Density: 1.107 g/cm3; (18)Flash Point: 49.9 °C; (19)Enthalpy of Vaporization: 37.93 kJ/mol; (20)Boiling Point: 158.9 °C at 760 mmHg; (21)Vapour Pressure: 3.33 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1conc1
2.InChI: InChI=1/C4H5NO2/c1-6-4-2-5-7-3-4/h2-3H,1H3
3.InChIKey: VGPMYTSIYXMWIT-UHFFFAOYAO