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85067-09-0 | Phosphonium, (3-oxo-1-phenylpropyl)triphenyl-, perchlorate
CAS No: 85067-09-0 Catalog No: AG004YEB MDL No:
Product Description
Catalog Number:
AG004YEB
Chemical Name:
Phosphonium, (3-oxo-1-phenylpropyl)triphenyl-, perchlorate
CAS Number:
85067-09-0
Molecular Formula:
C27H24ClO5P
Molecular Weight:
494.9032
IUPAC Name:
(3-oxo-1-phenylpropyl)-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C27H24OP.ClHO4/c28-22-21-27(23-13-5-1-6-14-23)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;2-1(3,4)5/h1-20,22,27H,21H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ZUDMBOPWMFLJOQ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.O=CCC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.105g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.908g/mol
Monoisotopic Mass:
494.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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