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141973-82-2 | Phosphonium, (1-methylene-3-oxo-3-phenylpropyl)triphenyl-, iodide (1:1)
CAS No: 141973-82-2 Catalog No: AG001HH7 MDL No:
Product Description
Catalog Number:
AG001HH7
Chemical Name:
Phosphonium, (1-methylene-3-oxo-3-phenylpropyl)triphenyl-, iodide (1:1)
CAS Number:
141973-82-2
Molecular Formula:
C28H24IOP
Molecular Weight:
534.3678
IUPAC Name:
(4-oxo-4-phenylbut-1-en-2-yl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C28H24OP.HI/c1-23(22-28(29)24-14-6-2-7-15-24)30(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;/h2-21H,1,22H2;1H/q+1;/p-1
InChI Key:
ZYZWABXILLTJIZ-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)CC(=C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.061g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.377g/mol
Monoisotopic Mass:
534.061g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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