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110762-62-4 | Phosphonium, [4-methyl-6-(phenylmethoxy)hexyl]triphenyl-, iodide
CAS No: 110762-62-4 Catalog No: AG007C7K MDL No:
Product Description
Catalog Number:
AG007C7K
Chemical Name:
Phosphonium, [4-methyl-6-(phenylmethoxy)hexyl]triphenyl-, iodide
CAS Number:
110762-62-4
Molecular Formula:
C32H36IOP
Molecular Weight:
594.5059
IUPAC Name:
(4-methyl-6-phenylmethoxyhexyl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C32H36OP.HI/c1-28(24-25-33-27-29-16-6-2-7-17-29)15-14-26-34(30-18-8-3-9-19-30,31-20-10-4-11-21-31)32-22-12-5-13-23-32;/h2-13,16-23,28H,14-15,24-27H2,1H3;1H/q+1;/p-1
InChI Key:
HGAXQOAGGCAONS-UHFFFAOYSA-M
SMILES:
CC(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCOCc1ccccc1.[I-]
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.155g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.517g/mol
Monoisotopic Mass:
594.155g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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