1(3H)-Isobenzofuranone,3-(4-hydroxyphenyl)-3-[4-(phosphonooxy)phenyl]-, sodium salt (1:2) (108321-15-9)

The CAS register number of Phenolphthalein monophosphate disodium salt is 108321-15-9. It also can be called as 1(3H)-Isobenzofuranone,3-(4-hydroxyphenyl)-3-[4-(phosphonooxy)phenyl]-, sodium salt (1:2) and the systematic name about this chemical is disodium 4-[1-(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl phosphate. The molecular formula about this chemical is C₂₀H₁₃Na₂O₇P and the molecular weight is 442.27 .

Physical properties about Phenolphthalein monophosphate disodium salt are: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 112.1Ų; (12)Flash Point: 355.5 °C; (13)Enthalpy of Vaporization: 102.63 kJ/mol; (14)Boiling Point: 664.2 °C at 760 mmHg; (15)Vapour Pressure: 1.51E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]P([O-])(=O)Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4
(2)InChI: InChI=1/C20H15O7P.2Na/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25;;/h1-12,21H,(H2,23,24,25);;/q;2*+1/p-2
(3)InChIKey: VRSDLWRSHBGEDF-NUQVWONBAM
(4)Std. InChI: InChI=1S/C20H15O7P.2Na/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25;;/h1-12,21H,(H2,23,24,25);;/q;2*+1/p-2
(5)Std. InChIKey: VRSDLWRSHBGEDF-UHFFFAOYSA-L