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1108-58-3 | Phosphonium, (11-methoxy-11-oxoundecyl)triphenyl-, iodide
CAS No: 1108-58-3 Catalog No: AG007C26 MDL No:
Product Description
Catalog Number:
AG007C26
Chemical Name:
Phosphonium, (11-methoxy-11-oxoundecyl)triphenyl-, iodide
CAS Number:
1108-58-3
Molecular Formula:
C30H38IO2P
Molecular Weight:
588.4998
IUPAC Name:
(11-methoxy-11-oxoundecyl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C30H38O2P.HI/c1-32-30(31)25-17-6-4-2-3-5-7-18-26-33(27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29;/h8-16,19-24H,2-7,17-18,25-26H2,1H3;1H/q+1;/p-1
InChI Key:
GZCRDZKIJCVWOP-UHFFFAOYSA-M
SMILES:
COC(=O)CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.165g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
588.51g/mol
Monoisotopic Mass:
588.165g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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