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113727-88-1 | 2,5-Pyrrolidinedione, 1-[2-oxo-3-(triphenylphosphoranylidene)propyl]-
CAS No: 113727-88-1 Catalog No: AG0009HE MDL No:
Product Description
Catalog Number:
AG0009HE
Chemical Name:
2,5-Pyrrolidinedione, 1-[2-oxo-3-(triphenylphosphoranylidene)propyl]-
CAS Number:
113727-88-1
Molecular Formula:
C25H22NO3P
Molecular Weight:
415.4208
IUPAC Name:
1-[2-oxo-3-(triphenyl-λ5-phosphanylidene)propyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C25H22NO3P/c27-20(18-26-24(28)16-17-25(26)29)19-30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19H,16-18H2
InChI Key:
APRPTBBBUNEXFD-UHFFFAOYSA-N
SMILES:
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CN1C(=O)CCC1=O
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.134g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.429g/mol
Monoisotopic Mass:
415.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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