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164982-05-2 | Phosphonium, triphenyl(4-sulfobutyl)-, inner salt
CAS No: 164982-05-2 Catalog No: AG001V77 MDL No:
Product Description
Catalog Number:
AG001V77
Chemical Name:
Phosphonium, triphenyl(4-sulfobutyl)-, inner salt
CAS Number:
164982-05-2
IUPAC Name:
4-triphenylphosphaniumylbutane-1-sulfonate
InChI:
InChI=1S/C22H23O3PS/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2
InChI Key:
RKQKXPDRWYNUGZ-UHFFFAOYSA-N
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.111g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.457g/mol
Monoisotopic Mass:
398.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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