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22950-50-1 | Phosphonium, (3-methoxy-4-oxo-3,4-diphenylbutyl)triphenyl-, iodide (1:1)
CAS No: 22950-50-1 Catalog No: AG002LND MDL No:
Product Description
Catalog Number:
AG002LND
Chemical Name:
Phosphonium, (3-methoxy-4-oxo-3,4-diphenylbutyl)triphenyl-, iodide (1:1)
CAS Number:
22950-50-1
Molecular Formula:
C35H32IO2P
Molecular Weight:
642.5056
IUPAC Name:
(3-methoxy-4-oxo-3,4-diphenylbutyl)-triphenylphosphanium
InChI:
InChI=1S/C35H32O2P/c1-37-35(30-19-9-3-10-20-30,34(36)29-17-7-2-8-18-29)27-28-38(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33/h2-26H,27-28H2,1H3/q+1
InChI Key:
UERYBYTVDBNLTR-UHFFFAOYSA-N
SMILES:
COC(C(=O)c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.214g/mol
Formal Charge:
1
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
515.613g/mol
Monoisotopic Mass:
515.214g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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