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87367-89-3 | 2,5-Pyrrolidinedione,3,3'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis- (9CI)
CAS No: 87367-89-3 Catalog No: AG004KOP MDL No:
Product Description
Catalog Number:
AG004KOP
Chemical Name:
2,5-Pyrrolidinedione,3,3'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis- (9CI)
CAS Number:
87367-89-3
Molecular Formula:
C24H24N2O6
Molecular Weight:
436.4572
IUPAC Name:
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C24H24N2O6/c27-21-13-19(23(29)25-21)15-3-7-17(8-4-15)31-11-1-2-12-32-18-9-5-16(6-10-18)20-14-22(28)26-24(20)30/h3-10,19-20H,1-2,11-14H2,(H,25,27,29)(H,26,28,30)
InChI Key:
JFRADCVGQVHAHW-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CC1c1ccc(cc1)OCCCCOc1ccc(cc1)C1CC(=O)NC1=O
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.163g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.464g/mol
Monoisotopic Mass:
436.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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