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87367-96-2 | 2,5-Pyrrolidinedione,3,3'-[1,8-octanediylbis(oxy-4,1-phenylene)]bis- (9CI)
CAS No: 87367-96-2 Catalog No: AG004KON MDL No:
Product Description
Catalog Number:
AG004KON
Chemical Name:
2,5-Pyrrolidinedione,3,3'-[1,8-octanediylbis(oxy-4,1-phenylene)]bis- (9CI)
CAS Number:
87367-96-2
Molecular Formula:
C28H32N2O6
Molecular Weight:
492.5635
IUPAC Name:
3-[4-[8-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]octoxy]phenyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C28H32N2O6/c31-25-17-23(27(33)29-25)19-7-11-21(12-8-19)35-15-5-3-1-2-4-6-16-36-22-13-9-20(10-14-22)24-18-26(32)30-28(24)34/h7-14,23-24H,1-6,15-18H2,(H,29,31,33)(H,30,32,34)
InChI Key:
RSDLTRYZMRTUDB-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CC1c1ccc(cc1)OCCCCCCCCOc1ccc(cc1)C1CC(=O)NC1=O
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.226g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
492.572g/mol
Monoisotopic Mass:
492.226g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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