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Phenolphthalein diphosphate calcium salt

Catalog No: FT-0642277

CAS No: 94465-66-4

Chemical Name: Phenolphthalein diphosphate calcium salt
Molecular Formula: C20H12Ca2O10P2
Molecular Weight: 554.4
InChI Key: GXVXXIGRDFWXEP-UHFFFAOYSA-J
InChI: InChI=1S/C20H16O10P2.2Ca/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;/q;2*+2/p-4

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	dicalcium,[4-[3-oxo-1-(4-phosphonatooxyphenyl)-2-benzofuran-1-yl]phenyl] phosphate
Flash_Point:	N/A
Melting_Point:	N/A
FW:	554.40700
Density:	N/A
CAS:	94465-66-4
Bolling_Point:	749.8ºC at 760 mmHg
MF:	C20H12Ca2O10P2

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 171 ', '7. Heavy Atom Count :34 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :708 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :3']
LogP:	4.84470
FW:	554.40700
PSA:	190.76000
MF:	C20H12Ca2O10P2
Bolling_Point:	749.8ºC at 760 mmHg
Exact_Mass:	553.91600