Molecular Structure of Barium sulphate (CAS NO.13462-86-7):
IUPAC Name: barium(2+) sulfate
Empirical Formula: BaSO4
Molecular Weight: 233.3896
CAS Registry Number: 13462-86-7
EINECS: 236-664-5
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 82.98 Å2
Enthalpy of Vaporization: 62.94 kJ/mol
Boiling Point: 330 °C at 760 mmHg
Vapour Pressure: 3.35E-05 mmHg at 25°C
InChI
InChI=1/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
Smiles
S([O-])(=O)(=O)[O-].[Ba+2]
Barium sulphate , with CAS number of 13462-86-7, can be called Sulfuric acid, barium salt (1:1) ; Barium sulfate ; Barium sulphate (Ba(SO4)) .
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