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| CAS No.: | 19703-92-5 |
|---|---|
| Name: | 5-METHYL-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C4H4N2O3 |
| Molecular Weight: | 128.087 |
| Synonyms: | 5-METHYL-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID |
| Density: | 1.464 g/cm3 |
| Melting Point: | 90℃ |
| Boiling Point: | 317.895 °C at 760 mmHg |
| Flash Point: | 146.058 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-43 |
| Safety: | 36/37 |
| PSA: | 76.22000 |
| LogP: | 0.07620 |
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Specification
The 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid, with the CAS registry number 19703-92-5, is also known as 1,2,4-Oxadiazole-3-carboxylicacid, 5-methyl-. This chemical's molecular formula is C4H4N2O3 and molecular weight is 128.09. What's more, its systematic name is 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid.
Physical properties of 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid are: (1)ACD/LogP: 0.267; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.23; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 76.22 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 26.49 cm3; (15)Molar Volume: 87.48 cm3; (16)Polarizability: 10.501×10-24cm3; (17)Surface Tension: 66.0 dyne/cm; (18)Density: 1.464 g/cm3; (19)Flash Point: 146.058 °C; (20)Enthalpy of Vaporization: 59.053 kJ/mol; (21)Boiling Point: 317.895 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1nc(C)on1
(2)Std. InChI: InChI=1S/C4H4N2O3/c1-2-5-3(4(7)8)6-9-2/h1H3,(H,7,8)
(3)Std. InChIKey: UGENJCBDFKUWDO-UHFFFAOYSA-N