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81305-28-4 | Phosphonium, (4-methoxy-3-methyl-4-oxobutyl)triphenyl-, iodide
CAS No: 81305-28-4 Catalog No: AG005LE5 MDL No:
Product Description
Catalog Number:
AG005LE5
Chemical Name:
Phosphonium, (4-methoxy-3-methyl-4-oxobutyl)triphenyl-, iodide
CAS Number:
81305-28-4
Molecular Formula:
C24H26IO2P
Molecular Weight:
504.3403
IUPAC Name:
(4-methoxy-3-methyl-4-oxobutyl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C24H26O2P.HI/c1-20(24(25)26-2)18-19-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H/q+1;/p-1
InChI Key:
CAIVRJVRLCGWHN-UHFFFAOYSA-M
SMILES:
COC(=O)C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[I-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.072g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.348g/mol
Monoisotopic Mass:
504.072g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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