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116154-22-4 | Phosphonium, triphenyl(3-sulfopropyl)-, inner salt
CAS No: 116154-22-4 Catalog No: AG000BRR MDL No:
Product Description
Catalog Number:
AG000BRR
Chemical Name:
Phosphonium, triphenyl(3-sulfopropyl)-, inner salt
CAS Number:
116154-22-4
Molecular Formula:
C21H21O3PS
Molecular Weight:
384.4284
IUPAC Name:
3-triphenylphosphaniumylpropane-1-sulfonate
InChI:
InChI=1S/C21H21O3PS/c22-26(23,24)18-10-17-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChI Key:
CHVFGCXPLGAAQN-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.43g/mol
Monoisotopic Mass:
384.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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