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90369-06-5 | Phosphonium, triphenyl[4-[(tetrahydro-2H-pyran-2-yl)oxy]butyl]-, iodide
CAS No: 90369-06-5 Catalog No: AG006QY3 MDL No:
Product Description
Catalog Number:
AG006QY3
Chemical Name:
Phosphonium, triphenyl[4-[(tetrahydro-2H-pyran-2-yl)oxy]butyl]-, iodide
CAS Number:
90369-06-5
Molecular Formula:
C27H32IO2P
Molecular Weight:
546.4200
IUPAC Name:
4-(oxan-2-yloxy)butyl-triphenylphosphanium;iodide
InChI:
InChI=1S/C27H32O2P.HI/c1-4-14-24(15-5-1)30(25-16-6-2-7-17-25,26-18-8-3-9-19-26)23-13-12-22-29-27-20-10-11-21-28-27;/h1-9,14-19,27H,10-13,20-23H2;1H/q+1;/p-1
InChI Key:
ZRKYFHAPGLAVAB-UHFFFAOYSA-M
SMILES:
C1CCC(OC1)OCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.118g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
546.429g/mol
Monoisotopic Mass:
546.118g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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