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147072-47-7 | 2,5-Pyrrolidinedione, 1,1'-[dithiobis[(1-oxo-11,1-undecanediyl)oxy]]bis-
CAS No: 147072-47-7 Catalog No: AG001EKO MDL No:
Product Description
Catalog Number:
AG001EKO
Chemical Name:
2,5-Pyrrolidinedione, 1,1'-[dithiobis[(1-oxo-11,1-undecanediyl)oxy]]bis-
CAS Number:
147072-47-7
Molecular Formula:
C30H48N2O8S2
Molecular Weight:
628.8407
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 11-[[11-(2,5-dioxopyrrolidin-1-yl)oxy-11-oxoundecyl]disulfanyl]undecanoate
InChI:
InChI=1S/C30H48N2O8S2/c33-25-19-20-26(34)31(25)39-29(37)17-13-9-5-1-3-7-11-15-23-41-42-24-16-12-8-4-2-6-10-14-18-30(38)40-32-27(35)21-22-28(32)36/h1-24H2
InChI Key:
JOKQWUXBBOQYTJ-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
628.285g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
628.84g/mol
Monoisotopic Mass:
628.285g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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