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156481-30-0 | Phosphonium, (12-methoxy-12-oxododecyl)triphenyl-, iodide (1:1)
CAS No: 156481-30-0 Catalog No: AG001ORC MDL No:
Product Description
Catalog Number:
AG001ORC
Chemical Name:
Phosphonium, (12-methoxy-12-oxododecyl)triphenyl-, iodide (1:1)
CAS Number:
156481-30-0
Molecular Formula:
C31H40IO2P
Molecular Weight:
602.5263
IUPAC Name:
(12-methoxy-12-oxododecyl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C31H40O2P.HI/c1-33-31(32)26-18-7-5-3-2-4-6-8-19-27-34(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30;/h9-17,20-25H,2-8,18-19,26-27H2,1H3;1H/q+1;/p-1
InChI Key:
PKWMWHOHUPXDKW-UHFFFAOYSA-M
SMILES:
COC(=O)CCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
602.181g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.537g/mol
Monoisotopic Mass:
602.181g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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