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CAS No.: | 62135-58-4 |
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Name: | Ethyl [1,2,4]triazolo[1,5-a]pyridine-2-carboxylate |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H9N3O2 |
Molecular Weight: | 191.18666 |
Synonyms: | 2-Aethoxycarbonyl-<1,2,4>triazolo<1,5-a>pyridin;ethyl s-triazolo<1,5-a>pyridine-2-carboxylate; |
Density: | 1.33 g/cm3 |
PSA: | 56.49000 |
LogP: | 0.90600 |
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This product is an organic compound with the formula C9H9N3O2. The systematic name of this chemical is ethyl [1,2,4]triazolo[1,5-a]pyridine-2-carboxylate and the CAS registry number is 62135-58-4. In addition, the molecular weight is 191.18666.
The other characteristics of Ethyl [1,2,4]triazolo[1,5-a]pyridine-2-carboxylate can be summarized as: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.64; (6)ACD/BCF (pH 7.4): 8.64; (7)ACD/KOC (pH 5.5): 162.87; (8)ACD/KOC (pH 7.4): 162.88; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 56.49 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 51.04 cm3; (15)Molar Volume: 143.5 cm3; (16)Polarizability: 20.23×10-24 cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.33 g/cm3.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCC)c1nc2ccccn2n1
2. InChI:InChI=1/C9H9N3O2/c1-2-14-9(13)8-10-7-5-3-4-6-12(7)11-8/h3-6H,2H2,1H3
3. InChIKey:CCEWYZJHYQITGS-UHFFFAOYAJ
4. Std. InChI:InChI=1S/C9H9N3O2/c1-2-14-9(13)8-10-7-5-3-4-6-12(7)11-8/h3-6H,2H2,1H3
5. Std. InChIKey:CCEWYZJHYQITGS-UHFFFAOYSA-N