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94465-66-4 | Phenolphthalein diphosphate calcium salt
CAS No: 94465-66-4 Catalog No: AG01FOU4 MDL No:
Product Description
Catalog Number:
AG01FOU4
Chemical Name:
Phenolphthalein diphosphate calcium salt
CAS Number:
94465-66-4
IUPAC Name:
dicalcium;[4-[3-oxo-1-(4-phosphonatooxyphenyl)-2-benzofuran-1-yl]phenyl] phosphate
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
InChI Key:
GXVXXIGRDFWXEP-UHFFFAOYSA-J
EC Number:
305-350-0
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.916g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.41g/mol
Monoisotopic Mass:
553.916g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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