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
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View