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yttrium barium copper oxide(CAS No. 107539-20-8)

yttrium barium copper oxide Ba?Cu?O?Y (cas 107539-20-8) Molecular Structure

107539-20-8 Structure

Identification and Related Records

【Name】
yttrium barium copper oxide
【CAS Registry number】
107539-20-8
【EINECS(EC#)】
266-340-9
【Molecular Formula】
Ba?Cu?O?Y (Products with the same molecular formula)
【Molecular Weight】
305.781
【Inchi】
InChI=1/Ba.Cu.O.Y
【Canonical SMILES】
O.[Cu].[Y].[Ba]
【MOL File】
107539-20-8.mol

Chemical and Physical Properties

【Density】
g/cm3
【Boiling Point】
100°C at 760 mmHg
【Vapour】
24.5mmHg at 25°C
【Flash Point】
°C
【Computed Properties】
Molecular Weight:307.79413 [g/mol]
Molecular Formula:BaCuH2OY
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:307.751255
MonoIsotopic Mass:307.751255
Topological Polar Surface Area:1
Heavy Atom Count:4
Formal Charge:0
Complexity:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:4

Safety and Handling

【Hazard Codes】
Xi,Xn
【HazardClass】
6.1
【PackingGroup 】
III
【Transport】
UN1564

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