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87213-54-5 | Phosphonic acid, [1,2-bis(diphenylphosphino)ethyl]-, diethyl ester
CAS No: 87213-54-5 Catalog No: AG004RQ4 MDL No:
Product Description
Catalog Number:
AG004RQ4
Chemical Name:
Phosphonic acid, [1,2-bis(diphenylphosphino)ethyl]-, diethyl ester
CAS Number:
87213-54-5
Molecular Formula:
C30H33O3P3
Molecular Weight:
534.5025
IUPAC Name:
(1-diethoxyphosphoryl-2-diphenylphosphanylethyl)-diphenylphosphane
InChI:
InChI=1S/C30H33O3P3/c1-3-32-36(31,33-4-2)30(35(28-21-13-7-14-22-28)29-23-15-8-16-24-29)25-34(26-17-9-5-10-18-26)27-19-11-6-12-20-27/h5-24,30H,3-4,25H2,1-2H3
InChI Key:
VEASFCNREMZTQP-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(P(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)OCC
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.164g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.512g/mol
Monoisotopic Mass:
534.164g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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