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89262-73-7 | Phosphonic acid, (2-benzoyl-5-oxo-3,5-diphenylpentyl)-, diethyl ester
CAS No: 89262-73-7 Catalog No: AG0041GU MDL No:
Product Description
Catalog Number:
AG0041GU
Chemical Name:
Phosphonic acid, (2-benzoyl-5-oxo-3,5-diphenylpentyl)-, diethyl ester
CAS Number:
89262-73-7
Molecular Formula:
C28H31O5P
Molecular Weight:
478.5165
IUPAC Name:
2-(diethoxyphosphorylmethyl)-1,3,5-triphenylpentane-1,5-dione
InChI:
InChI=1S/C28H31O5P/c1-3-32-34(31,33-4-2)21-26(28(30)24-18-12-7-13-19-24)25(22-14-8-5-9-15-22)20-27(29)23-16-10-6-11-17-23/h5-19,25-26H,3-4,20-21H2,1-2H3
InChI Key:
STMRXSRFDRHSCA-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(C(=O)c1ccccc1)C(c1ccccc1)CC(=O)c1ccccc1)OCC
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.191g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.525g/mol
Monoisotopic Mass:
478.191g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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