The Zirconium dicarbide, with the CAS registry number of 12340-54-4, is also known as Zirconiumdicarbide. This chemical's molecular formula is C2HZr and molecular weight is 116.2539. What's more, its systematic name is called Acetylene; zirconium.
Physical properties about Zirconium dicarbide are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.13; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 37.87; (8)ACD/KOC (pH 7.4): 37.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 21.12 kJ/mol; (14)Vapour Pressure: 69700 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [Zr].[C-]#C
(2) InChI: InChI=1/C2H.Zr/c1-2;/h1H;/q-1;
(3) InChIKey: FWSCNCLFCRKYGZ-UHFFFAOYAN
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