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Name |
1,2,4-Oxadiazole-5-methanol,3-methyl- |
EINECS | N/A |
CAS No. | 112960-56-2 | Density | 1.285 g/cm3 |
PSA | 59.15000 | LogP | -0.12970 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H6N2O2 | Boiling Point | 248.2 °C at 760 mmHg |
Molecular Weight | 114.104 | Flash Point | 103.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methyl-5-hydroxymethyl-1,2,4-oxadiazole; |
Article Data | 6 |
This chemical is called 1,2,4-Oxadiazole-5-methanol,3-methyl-, and its systematic name is (3-methyl-1,2,4-oxadiazol-5-yl)methanol. With the molecular formula of C4H6N2O2, its molecular weight is 114.1. The CAS registry number of this chemical is 112960-56-2.
Other characteristics of the 1,2,4-Oxadiazole-5-methanol,3-methyl- can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 6.59; (4)ACD/KOC (pH 7.4): 6.59; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 59.15 Å2; (9)Index of Refraction: 1.497; (10)Molar Refractivity: 26.01 cm3; (11)Molar Volume: 88.7 cm3; (12)Polarizability: 10.31×10-24cm3; (13)Surface Tension: 54 dyne/cm; (14)Density: 1.285 g/cm3; (15)Flash Point: 103.9 °C; (16)Enthalpy of Vaporization: 51.29 kJ/mol; (17)Boiling Point: 248.2 °C at 760 mmHg; (18)Vapour Pressure: 0.013 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCc1nc(C)no1
2.InChI: InChI=1/C4H6N2O2/c1-3-5-4(2-7)8-6-3/h7H,2H2,1H3
3.InChIKey: OQKJMIGPYYWVKU-UHFFFAOYAK