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113939-76-7 | Phosphonium, (3-ethoxy-3-oxopropyl)triphenyl-, perchlorate (1:1)
CAS No: 113939-76-7 Catalog No: AG000A3J MDL No:
Product Description
Catalog Number:
AG000A3J
Chemical Name:
Phosphonium, (3-ethoxy-3-oxopropyl)triphenyl-, perchlorate (1:1)
CAS Number:
113939-76-7
Molecular Formula:
C23H24ClO6P
Molecular Weight:
462.8598
IUPAC Name:
(3-ethoxy-3-oxopropyl)-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C23H24O2P.ClHO4/c1-2-25-23(24)18-19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;2-1(3,4)5/h3-17H,2,18-19H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
UVZRMMHYGWFMHD-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCOC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.1g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.863g/mol
Monoisotopic Mass:
462.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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