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136832-59-2 | Phosphinic acid, bis[3-(4-ethenylphenyl)propyl]-, anhydride (9CI)
CAS No: 136832-59-2 Catalog No: AG0012FK MDL No:
Product Description
Catalog Number:
AG0012FK
Chemical Name:
Phosphinic acid, bis[3-(4-ethenylphenyl)propyl]-, anhydride (9CI)
CAS Number:
136832-59-2
Molecular Formula:
C44H52O3P2
Molecular Weight:
690.8294
IUPAC Name:
1-[3-[bis[3-(4-ethenylphenyl)propyl]phosphoryloxy-[3-(4-ethenylphenyl)propyl]phosphoryl]propyl]-4-ethenylbenzene
InChI:
InChI=1S/C44H52O3P2/c1-5-37-17-25-41(26-18-37)13-9-33-48(45,34-10-14-42-27-19-38(6-2)20-28-42)47-49(46,35-11-15-43-29-21-39(7-3)22-30-43)36-12-16-44-31-23-40(8-4)24-32-44/h5-8,17-32H,1-4,9-16,33-36H2
InChI Key:
ZUDJFOHSZGEQPE-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)CCCP(=O)(OP(=O)(CCCc1ccc(cc1)C=C)CCCc1ccc(cc1)C=C)CCCc1ccc(cc1)C=C
Properties
Complexity:
906
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
690.339g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
690.845g/mol
Monoisotopic Mass:
690.339g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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