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113420-71-6 | Phosphonium, (7-methoxy-3,7-dimethyloctyl)triphenyl-, iodide (1:1)
CAS No: 113420-71-6 Catalog No: AG0008ID MDL No:
Product Description
Catalog Number:
AG0008ID
Chemical Name:
Phosphonium, (7-methoxy-3,7-dimethyloctyl)triphenyl-, iodide (1:1)
CAS Number:
113420-71-6
Molecular Formula:
C29H38IOP
Molecular Weight:
560.4897
IUPAC Name:
(7-methoxy-3,7-dimethyloctyl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C29H38OP.HI/c1-25(15-14-23-29(2,3)30-4)22-24-31(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28;/h5-13,16-21,25H,14-15,22-24H2,1-4H3;1H/q+1;/p-1
InChI Key:
MFROXNOREXEVKN-UHFFFAOYSA-M
SMILES:
COC(CCCC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C)(C)C.[I-]
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.17g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
560.5g/mol
Monoisotopic Mass:
560.17g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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